SCHEMBL4347161

SCHEMBL4347161

CCOc1ccc([C@H](CC(=O)O)OC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.53
PPARG P37231 1/20 0.52
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL27598638 0.85 ACACB (0.48) ALDH1A1POLBAKR1C3AKR1C2
SCHEMBL1508434 0.81 FFAR1 (0.42) FFAR1PPARG
SCHEMBL4339997 0.79 FFAR1 (0.42) FFAR1PPARGALDH1A1SMN1; SMN2AKR1C3
SCHEMBL2275392 0.79 FFAR1 (0.58) FFAR1ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL1508525 0.79 FFAR1 (0.74) FFAR1PPARG
SCHEMBL4328033 0.78 FFAR1 (0.41) FFAR1ALDH1A1SMN1; SMN2
SCHEMBL13264702 0.76 FFAR1 (0.71) FFAR1ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL5720965 0.76 ALDH1A1 (0.51) FFAR1ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL5720967 0.76 ALDH1A1 (0.51) FFAR1ALDH1A1POLBCYP2C9CYP2C19
SCHEMBL2222589 0.74 POLB (0.53) FFAR1ALDH1A1POLBCYP2C9CYP2C19

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed