SCHEMBL6502157

SCHEMBL6502157

CC(C)Oc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)ccc2-c2ccsc2Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.37
EPHX2 P34913 1/20 0.37
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PPARA Q07869 11/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 5/20 0.34
PTGES O14684 1/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7685465 0.86 EPHX2 (0.36) NR1H4EPHX2ITGB1ITGA4TP53
SCHEMBL6504440 0.86 EPHX2 (0.36) NR1H4EPHX2ITGB1ITGA4PPARA
SCHEMBL6494327 0.86 EPHX2 (0.37) NR1H4EPHX2ITGB1ITGA4TP53
SCHEMBL6505285 0.84 PPARA (0.43) NR1H4EPHX2PPARAPPARGPPARD
SCHEMBL6496963 0.83 TP53 (0.39) NR1H4EPHX2ITGB1ITGA4TP53
SCHEMBL6502348 0.83 EPHX2 (0.36) NR1H4EPHX2ITGB1ITGA4TP53
SCHEMBL6503712 0.83 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6496412 0.81 PPARA (0.44) TP53PPARAPPARGRAB9AHPGD
SCHEMBL6505766 0.80 PPARG (0.39) EPHX2ITGB1ITGA4MAPTPPARA
SCHEMBL6498815 0.79 PPARG (0.37) TP53MAPTPPARAPPARGPPARD

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed