SCHEMBL1745136

SCHEMBL1745136

CC(Oc1ccc(OC2CCc3ccccc32)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.57
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IDO1 P14902 2/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
HPGD P15428 1/20 0.42
GFRA2 O00451 1/20 0.42
GFRA3 O60609 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1744683 0.79 FFAR1 (0.72) FFAR1
SCHEMBL1744694 0.79 FFAR1 (0.72) FFAR1
SCHEMBL12017975 0.79 IDO1 (0.61) FFAR1IDO1GFRA2GFRA3
SCHEMBL1745291 0.77 MAPK1 (0.63) FFAR1CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL1746615 0.76 FFAR1 (0.60) FFAR1GAAIDO1GFRA2GFRA3
SCHEMBL1746407 0.76 FFAR1 (0.60) FFAR1IDO1
SCHEMBL8529487 0.76 IDO1 (0.54) FFAR1IDO1GFRA2GFRA3
SCHEMBL21142124 0.76 IDO1 (0.54) FFAR1IDO1GFRA2GFRA3
SCHEMBL1633343 0.74 FFAR1 (0.57) FFAR1
SCHEMBL1745432 0.74 FFAR1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed