SCHEMBL14567331

SCHEMBL14567331

CC#CC(CC(=O)O)c1ccc(OC2CCc3cc(Cl)ccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.75
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51

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
SCHEMBL13616818 1.00 FFAR1 (0.75) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL3854725 1.00 FFAR1 (0.75) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL13616704 0.90 FFAR1 (0.61) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL14567332 0.90 FFAR1 (0.61) FFAR1CYP2C9CYP2B6SLCO1B3
SCHEMBL3861321 0.90 FFAR1 (0.78) FFAR1
SCHEMBL13616832 0.90 FFAR1 (0.78) FFAR1
SCHEMBL14567233 0.88 FFAR1 (0.75) FFAR1
SCHEMBL3856226 0.88 FFAR1 (0.75) FFAR1
SCHEMBL3859131 0.88 FFAR1 (0.75) FFAR1
SCHEMBL3852420 0.88 FFAR1 (0.75) 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-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO disclosed