SCHEMBL4744657

SCHEMBL4744657

COC(=O)C1CCN1Cc1cccc(OCc2nc(-c3ccc(C)cc3)oc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.53
PPARA Q07869 16/20 0.53
CYP2C9 P11712 6/20 0.53
KCNH2 Q12809 6/20 0.53
KDR P35968 1/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4744656 1.00 PPARG (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744826 0.95 POLB (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744825 0.95 POLB (0.53) PPARGPPARACYP2C9KCNH2KDR
Methane SCHEMBL4788111 0.94 POLB (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4853726 0.93 PPARA (0.54) PPARGPPARA
SCHEMBL4746232 0.92 PPARG (0.57) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL14041184 0.92 PPARG (0.57) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744493 0.91 PPARG (0.54) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744498 0.91 PPARG (0.54) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4747418 0.90 PPARG (0.56) PPARGPPARACYP2C9KCNH2KDR

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