SCHEMBL7229221

SCHEMBL7229221

CC(C)c1ccc(OC(Cc2ccc(OCNC(=O)c3ccc(OCC(F)(F)C(F)F)nc3)cc2)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2J2 P51589 1/20 0.42
PPARG P37231 11/20 0.39
PPARA Q07869 11/20 0.39
PPARD Q03181 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CNR2 P34972 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6722406 0.92 EPHX2 (0.45) EPHX2CYP2C9CYP2C19CYP2J2PPARG
SCHEMBL6718358 0.86 EPHX2 (0.42) EPHX2CYP2C9CYP2C19CYP2J2PPARG
SCHEMBL6712965 0.84 EPHX2 (0.41) EPHX2CYP2C9CYP2C19CYP2J2PPARG
SCHEMBL6713371 0.76 EPHX2 (0.45) EPHX2CYP2C9CYP2C19CYP2J2PPARG
SCHEMBL6716079 0.72 EPHX2 (0.41) EPHX2CYP2C9CYP2C19CYP2J2PPARA
SCHEMBL6715079 0.72 GCG (0.48) PPARGPPARAPPARDTRPV1
SCHEMBL6713208 0.71 GCG (0.48) PPARGPPARAPPARDALDH1A1RAB9A
SCHEMBL6715966 0.70 GCG (0.49) PPARGPPARAPPARDTRPV1NPC1
SCHEMBL6713102 0.70 GCG (0.49) PPARGPPARAPPARDNPC1RAB9A
SCHEMBL28012489 0.70 L3MBTL1 (0.51) EPHX2CYP2C9CYP2C19CYP2J2SMN1; SMN2

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-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US claimed