SCHEMBL6497549

SCHEMBL6497549

Cc1sc(-c2ccc(Cl)cc2)nc1C(=O)NCc1cc(CC(OC(C)C)C(=O)O)ccc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.39
PPARA Q07869 8/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 5/20 0.38
P2RX3 P56373 2/20 0.37
EPHX2 P34913 1/20 0.35
RIPK1 Q13546 2/20 0.35
SAE1 Q9UBE0 1/20 0.35
TPH1 P17752 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
THRB P10828 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
SCHEMBL6495937 0.94 WDR5 (0.40) WDR5PPARAPPARGPPARDP2RX3
SCHEMBL6498650 0.93 EPHX2 (0.40) WDR5PPARAPPARGPPARDEPHX2
SCHEMBL6496225 0.92 WDR5 (0.36) WDR5PPARAPPARGPPARDP2RX3
SCHEMBL6506146 0.89 EPHX2 (0.37) WDR5PPARAPPARGPPARDEPHX2
SCHEMBL6495540 0.87 THRB (0.43) PPARAPPARGPPARDTHRB
SCHEMBL6507195 0.87 PPARG (0.40) WDR5PPARAPPARGPPARDEPHX2
SCHEMBL6495781 0.86 PPARG (0.48) PPARAPPARGPPARD
SCHEMBL7676301 0.82 PPARG (0.43) WDR5PPARAPPARGPPARD
SCHEMBL6505838 0.82 PPARA (0.41) PPARAPPARGPPARDEPHX2PDE4A
SCHEMBL6504835 0.81 PPARG (0.43) 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