SCHEMBL4744642

SCHEMBL4744642

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(COC(=O)C2CCCN2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.55
PPARA Q07869 10/20 0.55
CYP2C9 P11712 2/20 0.55
KCNH2 Q12809 2/20 0.55
KDR P35968 1/20 0.50
PTPN1 P18031 3/20 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
SCHEMBL4748548 0.91 PPARG (0.55) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4746620 0.91 PPARA (0.55) PPARGPPARACYP2C9KCNH2
SCHEMBL4743666 0.90 KDR (0.60) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4744629 0.90 KDR (0.62) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4747246 0.88 PPARG (0.47) PPARGPPARACYP2C9KCNH2PTPN1
SCHEMBL4743931 0.88 KDR (0.61) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4743967 0.84 PPARA (0.49) PPARGPPARACYP2C9KCNH2KDR
SCHEMBL4748098 0.83 PPARA (0.52) PPARGPPARA
SCHEMBL4744868 0.82 PPARA (0.51) PPARGPPARA
SCHEMBL4747104 0.82 PPARA (0.48) 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