SCHEMBL9701692

SCHEMBL9701692

CC1(C)CC(C)(C)c2cc(C#Cc3ccc(CCCCC(=O)O)cc3)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.47
FFAR4 Q5NUL3 1/20 0.40
AKR1B1 P15121 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
SCHEMBL9177457 0.87 CYP4Z1 (0.40) FFAR1
SCHEMBL9701372 0.86 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL5737195 0.85 CYP26A1 (0.47) FFAR1AKR1B1
SCHEMBL9491456 0.83 AKR1B1 (0.35) FFAR1AKR1B1
SCHEMBL8875912 0.83 CYP3A4 (0.36) FFAR1FFAR4AKR1B1
SCHEMBL9180384 0.81 CYP4F2 (0.43) FFAR1
SCHEMBL9180357 0.79 RARB (0.60)
SCHEMBL5737516 0.78 ACACB (0.38) AKR1B1
SCHEMBL8865044 0.77 CYP3A4 (0.46) FFAR1FFAR4
SCHEMBL8876189 0.76 CYP26A1 (0.43) FFAR1FFAR4AKR1B1

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