Sugi Predict

Sugi Predict / Compounds / Propylamine

Propylamine

Propylamine

SCHEMBL7726532

CCCN.COS(=O)(=O)O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of Propylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ SLC6A6 P31641 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ CA2 P00918 14/20 0.38
▸ CA1 P00915 12/20 0.38
▸ APP P05067 1/20 0.36
▸ TSHR P16473 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CA9 Q16790 9/20 0.31
▸ CA7 P43166 4/20 0.31
▸ CA12 O43570 3/20 0.31
▸ CA14 Q9ULX7 3/20 0.31
▸ CA4 P22748 3/20 0.30
▸ CA6 P23280 3/20 0.30
▸ CA5A P35218 3/20 0.30
▸ CA5B Q9Y2D0 3/20 0.30
▸ CA3 P07451 2/20 0.30
▸ NT5E P21589 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Propylamine SCHEMBL28235023 0.97 LMNA (0.38) LMNASLC6A6CYP2C19BLMCA2
Ethylamine SCHEMBL3467386 0.88 — —
Butylamine SCHEMBL17028402 0.87 APP (0.42) CA2CA1APPTSHRTP53
Ethylamine SCHEMBL27588741 0.86 CA2 (0.40) LMNASLC6A6CYP2C19BLMCA2
SCHEMBL7633828 0.85 DNM1 (0.52) CA2CA1APPTSHRTP53
Dodecylamine SCHEMBL1639793 0.84 DNM1 (0.56) CA2CA1TSHRCA9
SCHEMBL1637971 0.84 DNM1 (0.56) CA2CA1TSHRCA9
SCHEMBL6895975 0.84 DNM1 (0.56) CA2CA1TSHRCA9
Octadecylamine SCHEMBL10537917 0.84 DNM1 (0.56) CA2CA1TSHRCA9
Pentadecylamine SCHEMBL6900086 0.84 DNM1 (0.56) CA2CA1TSHRCA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143395-B Proppant 巴斯夫欧洲公司 2019-06-04 — — CN disclosed
CN-109316437-A A kind of hair filled type care method 北京痧之道科技发展有限公司 2019-02-12 — — CN disclosed
CN-109171156-A A kind of non-softening plastotype method for permanent waving hair 北京痧之道科技发展有限公司 2019-01-11 — — CN disclosed
CN-108210350-A A kind of special bath foam of pet 天津智同利达生物科技有限公司 2018-06-29 — — CN disclosed
CN-105229115-B Proppant 巴斯夫欧洲公司 2018-04-06 — — CN disclosed
CN-105367813-B Foamed polystyrene resin preparation method of granules and the foamed polystyrene resin particle being made from it 无锡兴达泡塑新材料股份有限公司 2018-03-20 — — CN disclosed
CN-106999360-A Emulsion oil-in-water composition 株式会社高丝 2017-08-01 — — CN disclosed
CN-105854028-A Double-Stranded RNA Oligonucleotides Which Inhibit Tyrosinase Expression 莱雅公司 2016-08-17 — — CN disclosed
US-9192556-B2 Substance for dyeing keratin fibers, including cationic anthraquinone dyes and fatty acid triglycerides HENKEL AG & CO. KGAA (DE) 2015-11-24 — — US disclosed
US-9186309-B2 Substance for dyeing keratin fibers, including cationic anthraquinone dyes and fatty acid diesters of alkane diols HENKEL AG & CO. KGAA (DE) 2015-11-17 — — US disclosed
US-9155689-B2 Coloring agent comprising direct dyes and amphoteric surfactants HENKEL AG & CO. KGAA (DE) 2015-10-13 — — US disclosed
US-8900589-B2 Anthracycline derivative conjugates, process for their preparation and their use as antitumor compounds GENETECH, INC. (US) 2014-12-02 — — US disclosed
US-20140298596-A1 SUBSTANCE FOR DYEING KERATIN FIBERS, INCLUDING CATIONIC ANTHRAQUINONE DYES AND FATTY ACID TRIGLYCERIDES HENKEL AG & CO. KGAA (DE) 2014-10-09 — — US disclosed
US-20140298597-A1 SUBSTANCE FOR DYEING KERATIN FIBERS, INCLUDING CATIONIC ANTHRAQUINONE DYES AND FATTY ACID DIESTERS OF ALKANE DIOLS HENKEL AG & CO. KGAA (DE) 2014-10-09 — — US disclosed
US-20140289972-A1 COLORING AGENT COMPRISING DIRECT DYES AND AMPHOTERIC SURFACTANTS HENKEL AG & CO. KGAA (DE) 2014-10-02 — — US disclosed
CN-1977793-B Composition comprising at least one cationic 3-amino-pyrazolopyridine derivative OREAL 2011-05-18 — — CN disclosed
CN-1977793-A Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative OREAL (FR) 2007-06-13 — — CN disclosed
US-6392064-B2 REACTING AN ALCOHOL WITH EPICHLOROHYDRIN WITH ALKALI METAL HYDROXIDE AND PHASE TRANSFER CATALYST KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-05-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140289972-A1 COLORING AGENT COMPRISING DIRECT DYES AND AMPHOTERIC SURFACTANTS KRT18, DSG1, S100A4 LMNA 140/4885SLC6A6 1301/4885CYP2C19 4786/4885
US-20140298597-A1 SUBSTANCE FOR DYEING KERATIN FIBERS, INCLUDING CATIONIC ANTHRAQUINONE DYES AND FATTY ACID DIESTERS OF ALKANE DIOLS KRT18, DSG1, FABP4 LMNA 631/4885SLC6A6 3657/4885CYP2C19 2401/4885
US-20140298596-A1 SUBSTANCE FOR DYEING KERATIN FIBERS, INCLUDING CATIONIC ANTHRAQUINONE DYES AND FATTY ACID TRIGLYCERIDES KRT18, FABP4, LIPE LMNA 445/4885SLC6A6 1019/4885CYP2C19 2128/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.