SCHEMBL4747418

SCHEMBL4747418

COC(=O)[C@@H]1COCCN1Cc1cccc(OCc2nc(-c3ccc(C)cc3)oc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.56
PPARA Q07869 17/20 0.56
CYP2C9 P11712 6/20 0.53
KCNH2 Q12809 6/20 0.53
KDR P35968 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL4746593 0.94 KDR (0.57) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4747650 0.92 PPARG (0.60) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4745066 0.92 PPARG (0.60) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4747967 0.92 PPARG (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4748033 0.90 PPARG (0.54) PPARGPPARATP53MAPTKMT2A
SCHEMBL4744657 0.90 PPARG (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744656 0.90 PPARG (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744825 0.89 POLB (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744826 0.89 POLB (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4747030 0.88 PPARG (0.57) PPARGPPARA

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 1 patent. 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 disclosed