SCHEMBL516401

SCHEMBL516401

CCCN(CCC)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.44
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39

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
Hydrochloric Acid SCHEMBL11023677 0.98 CRHR1 (0.43) CRHR1ESR1ALDH1A1TP53CYP3A4
Lithium Ion SCHEMBL19732781 0.98 CRHR1 (0.43) CRHR1ESR1ALDH1A1TP53CYP3A4
SCHEMBL21065755 0.98 CRHR1 (0.43) CRHR1ESR1ALDH1A1TP53CYP3A4
SCHEMBL25276708 0.92 ALDH1A1 (0.45) CRHR1ESR1ALDH1A1TP53CYP3A4
SCHEMBL19002230 0.91 CYP3A4 (0.41) CRHR1ESR1ALDH1A1TP53CYP3A4
SCHEMBL25228545 0.90 ALDH1A1 (0.51) CRHR1ESR1ALDH1A1TP53
SCHEMBL18769095 0.90 CRHR1 (0.40) CRHR1ESR1ALDH1A1TP53CYP3A4
SCHEMBL25277478 0.89 ALDH1A1 (0.54) CRHR1ESR1ALDH1A1TP53
SCHEMBL25277465 0.89 ALDH1A1 (0.54) CRHR1ESR1ALDH1A1TP53
SCHEMBL25225999 0.89 ALDH1A1 (0.54) CRHR1ESR1ALDH1A1TP53

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 188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4192820-A Preparation of 3-methyl-2-buten-1-al BASF AKTIENGESELLSCHAFT (DE) 1980-03-11 US claimed
EP-3542775-B1 COMPOSITION WITH EXCELLENT STORAGE STABILITY USING HIGHLY BASIC FILLER SHOFU INC (JP) 2025-04-02 EP disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-112545900-B Dental curable composition containing transition metal adsorbent 株式会社松风 2024-02-13 CN disclosed
US-11767411-B2 Curable composition containing transition metal adsorbent SHOFU INC. (JP) 2023-09-26 US disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 EP disclosed
WO-2022260494-A1 NOVEL COMPOUND HAVING INHIBITORY ACTIVITY AGAINST PENDRIN, AND PHARMACEUTICAL USES THEREOF 연세대학교 산학협력단 2022-12-15 WO disclosed
US-20210189098-A1 CURABLE COMPOSITION CONTAINING TRANSITION METAL ADSORBENT SHOFU INC. (JP) 2021-06-24 US disclosed
US-11033464-B2 Composition with excellent storage stability using highly basic filler SHOFU INC. (JP) 2021-06-15 US disclosed
US-4200582-A Preparation of α-hydroxy-β,β-dimethyl-γ-butyrolactone BASF AKTIENGESELLSCHAFT (DE) 1980-04-29 US disclosed
US-4192820-A Preparation of 3-methyl-2-buten-1-al BASF AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0008013-A1 Process for the preparation of carbonyl compounds BASF Aktiengesellschaft (DE) 1980-02-20 EP disclosed
EP-0007439-A1 Sulphamic acid halides and method for their preparation BASF Aktiengesellschaft (DE) 1980-02-06 EP disclosed
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 EP disclosed
US-4165342-A BY OXIDATIVE DEHYDROGENATION OF THE ALCOHOL, LAYERS OF SILVER AND COPPER CATALYST CRYSTALS BASF AKTIENGESELLSCHAFT (DE) 1979-08-21 US disclosed
EP-0002807-A1 Process for the preparation of alpha-hydroxy-beta,beta-dimethyl-gamma-butyrolactone BASF Aktiengesellschaft (DE) 1979-07-11 EP disclosed
US-4153607-A Process for the production of 4,5-disubstituted thiazoles BASF AKTIENGESELLSCHAFT (DE) 1979-05-08 US disclosed
US-4131620-A ETHERIFICATION OF N-(2-HALOALKYL)-SULFAMIC ACID HALIDES BASF AKTIENGESELLSCHAFT (DE) 1978-12-26 US disclosed
US-3933423-A Azoic dyeing of leather E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US disclosed