SCHEMBL6504694

SCHEMBL6504694

Cc1ccc(-c2nc(C(=O)NCc3cc(CC(OC(C)C)C(=O)O)ccc3-c3ccc(Cl)s3)c(C)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.38
PPARG P37231 8/20 0.38
PPARD Q03181 8/20 0.38
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MAOB P27338 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL6498868 0.94 PPARA (0.40) PPARAPPARGPPARDMAOB
SCHEMBL6506183 0.88 PPARA (0.39) PPARAPPARGPPARDMAOB
SCHEMBL6502616 0.88 PPARG (0.40) PPARAPPARGPPARDTP53MAPT
SCHEMBL6498964 0.85 PPARA (0.39) PPARAPPARGPPARDTP53MAOB
SCHEMBL6495514 0.85 PPARA (0.40) PPARAPPARGPPARDMAOB
SCHEMBL6505714 0.85 NPC1 (0.41) PPARAPPARGPPARDTP53MAPT
SCHEMBL7676301 0.84 PPARG (0.43) PPARAPPARGPPARD
SCHEMBL6504631 0.83 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL6496886 0.82 PPARG (0.41) PPARAPPARGPPARDTP53MAPT
SCHEMBL6496860 0.81 PPARG (0.49) 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