SCHEMBL7685465

SCHEMBL7685465

Cc1csc(-c2ccc(CC(OC(C)C)C(=O)O)cc2CNC(=O)c2ccc(OC(C)C)cc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PPARA Q07869 11/20 0.35
PPARG P37231 7/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
PPARD Q03181 6/20 0.34
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EIF4E P06730 1/20 0.32

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
SCHEMBL6505922 0.93 CTSL (0.37) PPARAPPARGPPARDALDH1A1HPGD
SCHEMBL6498815 0.92 PPARG (0.37) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL6503035 0.91 S1PR3 (0.36) EPHX2PPARAPPARGPPARD
SCHEMBL6494327 0.89 EPHX2 (0.37) EPHX2NR1H4PPARAPPARGITGB1
SCHEMBL6502157 0.86 NR1H4 (0.37) EPHX2NR1H4PPARAPPARGITGB1
SCHEMBL6504440 0.85 EPHX2 (0.36) EPHX2NR1H4PPARAPPARGITGB1
SCHEMBL6496963 0.84 TP53 (0.39) EPHX2NR1H4PPARAPPARGITGB1
SCHEMBL6505285 0.84 PPARA (0.43) EPHX2NR1H4PPARAPPARGPPARD
SCHEMBL6502348 0.82 EPHX2 (0.36) EPHX2NR1H4PPARAPPARGITGB1
SCHEMBL6503712 0.82 PPARA (0.50) PPARAPPARGPPARD

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-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed