SCHEMBL6495937

SCHEMBL6495937

Cc1ccc(-c2nc(C(=O)NCc3cc(CC(OC(C)C)C(=O)O)ccc3OC3CCCC3)c(C)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.40
PPARG P37231 7/20 0.40
PPARA Q07869 7/20 0.40
PPARD Q03181 5/20 0.40
EPHX2 P34913 1/20 0.36
RIPK1 Q13546 2/20 0.36
TPH1 P17752 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
P2RX3 P56373 1/20 0.35
SLC5A7 Q9GZV3 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
SCHEMBL6498650 0.95 EPHX2 (0.40) WDR5PPARGPPARAPPARDEPHX2
SCHEMBL6497549 0.94 WDR5 (0.39) WDR5PPARGPPARAPPARDEPHX2
SCHEMBL6507195 0.88 PPARG (0.40) WDR5PPARGPPARAPPARDEPHX2
SCHEMBL7676301 0.88 PPARG (0.43) WDR5PPARGPPARAPPARD
SCHEMBL6506146 0.88 EPHX2 (0.37) WDR5PPARGPPARAPPARDEPHX2
SCHEMBL6496225 0.87 WDR5 (0.36) WDR5PPARGPPARAPPARDEPHX2
SCHEMBL6504631 0.87 PPARG (0.44) PPARGPPARAPPARD
SCHEMBL6496860 0.85 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL6504835 0.82 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL6498868 0.82 PPARA (0.40) PPARGPPARAPPARD

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