SCHEMBL6858014

SCHEMBL6858014

CCC(C)COP(=O)(OCC(C)CC)OCC(C)CC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.46
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPM8 Q7Z2W7 2/20 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
SCHEMBL20260439 0.85 CYP3A4 (0.65) CYP3A4L3MBTL1TSHR
SCHEMBL28452952 0.82 CYP3A4 (0.33) CYP3A4L3MBTL1TSHRMAPT
SCHEMBL21301625 0.81 CYP3A4 (0.83) CYP3A4L3MBTL1TSHRALDH1A1TDP1
SCHEMBL6854734 0.80 CYP3A4 (0.50) CYP3A4L3MBTL1TSHRTRPM8
SCHEMBL13804308 0.80 PGK1 (0.45)
SCHEMBL2471542 0.80 PGK1 (0.45)
SCHEMBL2474832 0.80 LAP3 (0.36) CYP3A4L3MBTL1MAPT
SCHEMBL18924785 0.78 CYP3A4 (0.50) CYP3A4L3MBTL1TSHRTRPM8
SCHEMBL28390056 0.78 PPARD (0.37) CYP3A4L3MBTL1TSHRMAPTTRPM8
SCHEMBL887465 0.78 SAT1 (0.36) CYP3A4L3MBTL1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4012480-A MULTISTAGE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1977-03-15 US claimed
CN-118835072-A Treatment method for recycling arsenic-containing waste residues 广西壮族自治区环境保护科学研究院 2024-10-25 CN disclosed
US-6828407-B2 Membrane for fuel cells SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-07 US disclosed
US-20030166824-A1 Polymer electrolyte composition and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-04 US disclosed
US-5922654-A TWO OR MORE ORGANOMETALLIC COMPOUNDS WHERE THE METAL IS A TRANSITION METAL OR SEMIMETAL, OR ZINC; FOR EXAMPLE, ZINC DIALKYLDITHIOPHOSPHATE, OR NICKEL DIALKYLDITHIOCARBAMATE; HIGHER LOAD BEARING PROPERTIES, HIGH TEMPERATURE PERFORMANCE NSK LTD. (JP) 1999-07-13 US disclosed
EP-0157183-A2 Extraction of alcohols with phosphine oxides AMERICAN CYANAMID COMPANY (US) 1985-10-09 EP disclosed
US-4544779-A ALCOHOLIC BEVERAGES AMERICAN CYANAMID COMPANY (US) 1985-10-01 US disclosed
US-4237100-A Isotopic enrichment of uranium with respect to an isotope COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1980-12-02 US disclosed
US-4012480-A MULTISTAGE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1977-03-15 US disclosed
US-3932579-A Recovery of rhenium UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-01-13 US disclosed