SCHEMBL21148113

SCHEMBL21148113

CSCCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.81
GNA15 P30679 1/20 0.79
SLC10A1 Q14973 1/20 0.79
ABCC2 Q92887 1/20 0.79
SLCO1B3 Q9NPD5 1/20 0.79
SLCO1B1 Q9Y6L6 1/20 0.79

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
SCHEMBL16123745 0.92 FFAR1 (0.79) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL24723627 0.90 FFAR1 (0.65) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL1633142 0.90 FFAR1 (1.00) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL17911219 0.90 FFAR1 (0.65) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL16532871 0.90 FFAR1 (0.65) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL16515346 0.90 FFAR1 (0.65) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL206660 0.90 FFAR1 (0.83) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL16123793 0.89 FFAR1 (0.82) FFAR1GNA15SLC10A1ABCC2SLCO1B3
Fasiglifam SCHEMBL16448782 0.88 FFAR1 (1.00) FFAR1GNA15SLC10A1ABCC2SLCO1B3
Fasiglifam SCHEMBL16448793 0.88 FFAR1 (1.00) FFAR1GNA15SLC10A1ABCC2SLCO1B3

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-2019134984-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2019-07-11 WO disclosed