SCHEMBL4747524

SCHEMBL4747524

Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN2CCCCC2C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.60
PPARA Q07869 19/20 0.60
CD274 Q9NZQ7 1/20 0.60

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
SCHEMBL4746305 0.96 PPARG (0.58) PPARGPPARA
SCHEMBL4746302 0.96 PPARG (0.58) PPARGPPARA
SCHEMBL4747144 0.95 PPARA (0.54) PPARGPPARACD274
SCHEMBL4785953 0.94 CD274 (0.55) PPARGPPARACD274
SCHEMBL4743927 0.92 CD274 (0.65) PPARGPPARACD274
SCHEMBL4744001 0.92 CD274 (0.65) PPARGPPARACD274
SCHEMBL4787429 0.91 CD274 (0.57) PPARGPPARACD274
SCHEMBL4747748 0.91 CD274 (0.57) PPARGPPARACD274
SCHEMBL4747847 0.91 CD274 (0.63) PPARGPPARACD274
SCHEMBL4745027 0.91 PPARG (0.63) PPARGPPARACD274

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO claimed
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 US disclosed