SCHEMBL6498650

SCHEMBL6498650

Cc1sc(-c2ccccc2)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
PPARG P37231 8/20 0.40
PPARA Q07869 5/20 0.40
PPARD Q03181 4/20 0.40
WDR5 P61964 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
RIPK1 Q13546 3/20 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
SCHEMBL6495937 0.95 WDR5 (0.40) EPHX2PPARGPPARAPPARDWDR5
SCHEMBL6497549 0.93 WDR5 (0.39) EPHX2PPARGPPARAPPARDWDR5
SCHEMBL6506146 0.91 EPHX2 (0.37) EPHX2PPARGPPARAPPARDWDR5
SCHEMBL6507195 0.90 PPARG (0.40) EPHX2PPARGPPARAPPARDWDR5
SCHEMBL6504835 0.88 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6496225 0.88 WDR5 (0.36) EPHX2PPARGPPARAPPARDWDR5
SCHEMBL6502624 0.86 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6497310 0.85 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6498647 0.83 PPARG (0.37) PPARGPPARAPPARDPDE4APDE4B
SCHEMBL7676301 0.82 PPARG (0.43) PPARGPPARAPPARDWDR5

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