SCHEMBL6506146

SCHEMBL6506146

Cc1sc(-c2ccccc2Cl)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccc1OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
WDR5 P61964 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PPARA Q07869 5/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 3/20 0.35
KLKB1 P03952 1/20 0.34
FFAR2 O15552 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
RIPK1 Q13546 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
SCHEMBL6496225 0.92 WDR5 (0.36) EPHX2WDR5PDE4BPPARAPPARG
SCHEMBL6498650 0.91 EPHX2 (0.40) EPHX2WDR5PDE4APDE4BPDE4C
SCHEMBL6497549 0.89 WDR5 (0.39) EPHX2WDR5PDE4APDE4BPDE4C
SCHEMBL6496502 0.89 PPARA (0.39) WDR5PPARAPPARGPPARD
SCHEMBL6505578 0.88 PPARG (0.41) EPHX2PPARAPPARGPPARD
SCHEMBL6495937 0.88 WDR5 (0.40) EPHX2WDR5PDE4APDE4BPDE4C
SCHEMBL6507195 0.86 PPARG (0.40) EPHX2WDR5PDE4APDE4BPDE4C
SCHEMBL6503008 0.86 PPARG (0.48) PPARAPPARGPPARD
SCHEMBL6507594 0.81 ADORA2A (0.38) PPARAPPARGPPARD
SCHEMBL7684246 0.81 SHMT1 (0.39) WDR5PDE4BPPARAPPARGPPARD

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