SCHEMBL6952012

SCHEMBL6952012

CCOC(Cc1ccc(CCCN2CSc3ccccc3C2=O)cc1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.38
PPARA Q07869 12/20 0.38
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PPARD Q03181 3/20 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
SCHEMBL6957166 0.83 PARP1 (0.36) PPARGPPARAPARP1PARP2PPARD
SCHEMBL6956670 0.82 PPARG (0.43) PPARGPARP1PARP2
SCHEMBL6953588 0.76 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL6952500 0.76 PPARA (0.46) PPARGPPARAPPARD
SCHEMBL6945038 0.73 PPARA (0.35) PPARGPPARAPPARD
SCHEMBL8306093 0.73 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL6957169 0.73 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL8302764 0.72 ALDH1A1 (0.50)
SCHEMBL6949460 0.72 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL6952957 0.72 PPARA (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
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed