SCHEMBL6497966

SCHEMBL6497966

COc1ncc(CC(OC(C)C)C(=O)O)cc1CNC(=O)c1nc(-c2ccccc2)sc1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.38
PPARA Q07869 8/20 0.38
PPARD Q03181 6/20 0.38
PARP1 P09874 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
KIT P10721 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 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
SCHEMBL5552676 0.85 PPARA (0.42) PPARGPPARAPPARDPARP1
SCHEMBL5549705 0.85 PPARA (0.38) PPARGPPARAPPARDPARP1L3MBTL1
SCHEMBL6502624 0.84 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL6498320 0.84 PPARA (0.45) PPARGPPARAPPARDHCRTR1HCRTR2
SCHEMBL5549055 0.84 PPARA (0.43) PPARGPPARAPPARDPARP1
SCHEMBL6504835 0.84 PPARG (0.43) PPARGPPARAPPARDPARP1
SCHEMBL6497310 0.83 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL5553473 0.83 PPARA (0.36) PPARGPPARAPPARDPARP1L3MBTL1
SCHEMBL5549020 0.82 PPARG (0.39) PPARGPPARAPPARDPARP1NPC1
SCHEMBL6496886 0.81 PPARG (0.41) 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