SCHEMBL6504997

SCHEMBL6504997

CCCOc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)ccc2-c2ccc(Cl)s2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
PPARG P37231 12/20 0.38
PPARA Q07869 8/20 0.38
PPARD Q03181 7/20 0.38
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
ACACB O00763 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6498341 0.88 LMNA (0.38) TP53PPARGPPARAPPARDMAPT
SCHEMBL6498815 0.88 PPARG (0.37) TP53PPARGPPARAPPARDMAPT
SCHEMBL6494217 0.87 S1PR3 (0.36) TP53PPARGPPARAPPARDMAPT
SCHEMBL6494327 0.86 EPHX2 (0.37) TP53PPARGPPARAPPARDMAPT
SCHEMBL6504030 0.86 PPARG (0.37) PPARGPPARAPPARDACACB
SCHEMBL6504955 0.86 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6507629 0.84 PPARA (0.49) PPARGPPARAPPARD
SCHEMBL6502816 0.84 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6502543 0.84 LMNA (0.38) TP53PPARGPPARAPPARDMAPT
SCHEMBL6495940 0.84 PPARG (0.38) PPARGPPARAPPARDACACB

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