SCHEMBL4748548

SCHEMBL4748548

Cc1ccc(-c2nc(COc3cccc(COC(=O)C4CCCN4)c3)c(C)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.55
PPARA Q07869 18/20 0.55
CYP2C9 P11712 6/20 0.55
KCNH2 Q12809 6/20 0.55
KDR P35968 1/20 0.54
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL4743666 0.94 KDR (0.60) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744629 0.94 KDR (0.62) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4748098 0.92 PPARA (0.52) PPARGPPARA
SCHEMBL4743931 0.91 KDR (0.61) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744642 0.91 PPARG (0.55) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4743967 0.86 PPARA (0.49) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4747104 0.83 PPARA (0.48) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4746620 0.81 PPARA (0.55) PPARGPPARACYP2C9KCNH2
SCHEMBL4744698 0.80 FFAR1 (0.63) PPARGPPARAKDRMAPT
SCHEMBL4744571 0.78 PPARA (0.49) 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