SCHEMBL4747382

SCHEMBL4747382

CC(C)c1oc(-c2ccccc2)nc1CCOc1cccc(CN2CCCC2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.56
CD274 Q9NZQ7 1/20 0.54
PPARA Q07869 16/20 0.50
POLB P06746 1/20 0.49
SPHK1 Q9NYA1 1/20 0.47

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
SCHEMBL4747380 1.00 PPARG (0.56) PPARGCD274PPARAPOLBSPHK1
SCHEMBL4744750 0.91 PPARG (0.55) PPARGCD274PPARA
SCHEMBL4744752 0.91 PPARG (0.55) PPARGCD274PPARA
SCHEMBL4746302 0.88 PPARG (0.58) PPARGPPARA
SCHEMBL4746305 0.88 PPARG (0.58) PPARGPPARA
SCHEMBL4747524 0.87 PPARG (0.60) PPARGCD274PPARA
SCHEMBL4744012 0.85 CD274 (0.61) PPARGCD274PPARAPOLBSPHK1
SCHEMBL4744628 0.85 CD274 (0.61) PPARGCD274PPARAPOLBSPHK1
SCHEMBL4747333 0.84 LTA4H (0.53) PPARGPPARA
SCHEMBL4743664 0.84 CD274 (0.60) PPARGCD274PPARAPOLBSPHK1

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