SCHEMBL9506990

SCHEMBL9506990

CCCCCC=Cc1ccc(C(=O)N(CCCCC(=O)O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
F7 P08709 5/20 0.46
F3 P13726 5/20 0.46
FFAR1 O14842 3/20 0.46
PTGS1 P23219 3/20 0.46
ESR1 P03372 1/20 0.46
SRD5A2 P31213 1/20 0.46
CASP6 P55212 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 4/20 0.45
FABP4 P15090 3/20 0.45
HSD17B10 Q99714 3/20 0.45
DUSP3 P51452 2/20 0.45
PTPN7 P35236 2/20 0.45
LMNA P02545 2/20 0.45
CYP19A1 P11511 2/20 0.45
ALOX15 P16050 2/20 0.45

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
SCHEMBL9506987 1.00 PPARG (0.46) PPARGPPARDPPARAF7F3
SCHEMBL9504667 0.99 EPHX2 (0.47) PPARGPPARDPPARAF7F3
SCHEMBL9504674 0.99 EPHX2 (0.47) PPARGPPARDPPARAF7F3
SCHEMBL9508849 0.96 PPARG (0.45) PPARGPPARDPPARAF7F3
SCHEMBL9508843 0.96 PPARG (0.45) PPARGPPARDPPARAF7F3
SCHEMBL11020950 0.96 PPARG (0.45) PPARGPPARDPPARAF7F3
SCHEMBL9504795 0.96 PPARG (0.45) PPARGPPARDPPARAF7F3
SCHEMBL9508227 0.85 PPARG (0.43) PPARGPPARDPPARAF7F3
SCHEMBL9508230 0.85 PPARG (0.43) PPARGPPARDPPARAF7F3
SCHEMBL9506831 0.85 EPHX2 (0.42) PPARGPPARDPPARAF7F3

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-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed