SCHEMBL4748082

SCHEMBL4748082

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(CN2CCOC[C@H]2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.56
PPARA Q07869 14/20 0.56
CYP2C9 P11712 4/20 0.56
KCNH2 Q12809 4/20 0.56
KDR P35968 1/20 0.49
PTPN1 P18031 1/20 0.48

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
SCHEMBL4747182 1.00 PPARG (0.56) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744759 0.93 PPARG (0.54) PPARGPPARACYP2C9KCNH2
SCHEMBL4746732 0.93 PPARG (0.54) PPARGPPARACYP2C9KCNH2
SCHEMBL4747967 0.93 PPARG (0.53) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4745066 0.92 PPARG (0.60) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4747650 0.92 PPARG (0.60) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4748435 0.92 KDR (0.59) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4747572 0.92 KDR (0.59) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4748410 0.91 PPARG (0.49) PPARGPPARACYP2C9KCNH2PTPN1
SCHEMBL4743673 0.91 PPARG (0.49) PPARGPPARACYP2C9KCNH2PTPN1

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