SCHEMBL9701372

SCHEMBL9701372

CCc1cc2c(cc1C#Cc1ccc(CCCCC(=O)O)cc1)C(C)(C)CC(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.44
CHRM2 P08172 1/20 0.38
S1PR1 P21453 1/20 0.38
FPR1 P21462 1/20 0.38
FPR3 P25089 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GPR65 Q8IYL9 1/20 0.38

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
SCHEMBL9176702 0.89 CYP4Z1 (0.37) FFAR1CHRM2S1PR1FPR1FPR3
SCHEMBL9177619 0.87 CYP26A1 (0.45) FFAR1
SCHEMBL9701692 0.86 FFAR1 (0.47) FFAR1FFAR4
SCHEMBL9182162 0.83 CYP26A1 (0.41) FFAR1FFAR4
SCHEMBL9700777 0.81 FFAR1 (0.44) FFAR1CHRM2S1PR1FPR1FPR3
SCHEMBL9180700 0.81 FFAR1 (0.38) FFAR1CHRM2S1PR1FPR1FPR3
SCHEMBL9527848 0.80 PPARA (0.33)
SCHEMBL9179250 0.78 RARA (0.42)
SCHEMBL8865475 0.77 CYP3A4 (0.36) FFAR1FFAR4
SCHEMBL9177457 0.76 CYP4Z1 (0.40) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006084-A1 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-04-16 WO disclosed