SCHEMBL23935649

SCHEMBL23935649

COc1ccc(CCC(=O)O)cc1C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
FFAR1 O14842 9/20 0.52
FFAR4 Q5NUL3 6/20 0.52
PPARG P37231 1/20 0.49
FFAR2 O15552 1/20 0.47
PPARD Q03181 1/20 0.47
ALOX5 P09917 1/20 0.47
OR51E2 Q9H255 1/20 0.47
GAA P10253 1/20 0.46
CYP19A1 P11511 1/20 0.46
PLA2G4A P47712 1/20 0.46

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
SCHEMBL31433006 0.88 PPARA (0.55) PPARAFFAR1FFAR4PPARGFFAR2
SCHEMBL23935757 0.88 ALOX5 (0.54) PPARAFFAR1FFAR4PPARGALOX5
SCHEMBL24593698 0.86 PPARA (0.59) PPARAFFAR1FFAR4PPARGFFAR2
SCHEMBL3808251 0.84 CYP4F2 (0.45) PPARAPPARGALOX5OR51E2GAA
SCHEMBL2950901 0.84 DRD2 (0.50) PPARAPPARGALOX5
SCHEMBL30854479 0.84 PPARA (0.67) PPARAFFAR1FFAR4PPARGFFAR2
SCHEMBL347209 0.83 FFAR4 (0.61) FFAR1FFAR4ALOX5OR51E2PLA2G4A
SCHEMBL12569398 0.83 KDM4E (0.62) ALOX5OR51E2CYP19A1
SCHEMBL4099240 0.83 AKT1 (0.49) PPARAPPARG
SCHEMBL11897975 0.83 LMNA (0.45) PPARAPPARG

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
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed