SCHEMBL4744752

SCHEMBL4744752

CC(C)c1oc(-c2ccccc2)nc1CCOc1ccc(CN2CCCC2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.55
CD274 Q9NZQ7 2/20 0.51
PDCD1 Q15116 1/20 0.49
PPARA Q07869 9/20 0.48
PPARD Q03181 3/20 0.46

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
SCHEMBL4744750 1.00 PPARG (0.55) PPARGCD274PDCD1PPARAPPARD
SCHEMBL4747333 0.93 LTA4H (0.53) PPARGPPARAPPARD
SCHEMBL4747382 0.91 PPARG (0.56) PPARGCD274PPARA
SCHEMBL4747380 0.91 PPARG (0.56) PPARGCD274PPARA
SCHEMBL4748485 0.89 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL4748488 0.89 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL4748313 0.87 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4748310 0.87 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL4745027 0.86 PPARG (0.63) PPARGCD274PPARAPPARD
SCHEMBL4748482 0.86 PPARG (0.63) PPARGCD274PPARAPPARD

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
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