SCHEMBL6502348

SCHEMBL6502348

CC(C)Oc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)ccc2-c2ccoc2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PPARA Q07869 15/20 0.36
PPARG P37231 13/20 0.36
PPARD Q03181 10/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6506028 0.92 LMNA (0.37) PPARAPPARGPPARDALDH1A1
SCHEMBL6495940 0.92 PPARG (0.38) PPARAPPARGPPARD
SCHEMBL6504909 0.90 S1PR3 (0.38) EPHX2PPARAPPARGPPARDITGB1
SCHEMBL6504440 0.85 EPHX2 (0.36) EPHX2NR1H4PPARAPPARGPPARD
SCHEMBL6496963 0.85 TP53 (0.39) EPHX2NR1H4PPARAPPARGPPARD
SCHEMBL6505285 0.84 PPARA (0.43) EPHX2NR1H4PPARAPPARGPPARD
SCHEMBL6494327 0.84 EPHX2 (0.37) EPHX2NR1H4PPARAPPARGPPARD
SCHEMBL6502157 0.83 NR1H4 (0.37) EPHX2NR1H4PPARAPPARGPPARD
SCHEMBL7685465 0.82 EPHX2 (0.36) EPHX2NR1H4PPARAPPARGPPARD
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 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