SCHEMBL4747246

SCHEMBL4747246

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc(COC(=O)C2CCCCN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.47
PPARA Q07869 11/20 0.47
PPARD Q03181 3/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47
FFAR1 O14842 1/20 0.47
PTPN1 P18031 1/20 0.46
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4744868 0.94 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL4744013 0.89 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL4744642 0.88 PPARG (0.55) PPARGPPARACYP2C9KCNH2PTPN1
SCHEMBL4744698 0.84 FFAR1 (0.63) PPARGPPARAFFAR1MAPT
SCHEMBL4745030 0.83 PPARG (0.59) PPARGPPARAPPARDFFAR1
SCHEMBL4746620 0.80 PPARA (0.55) PPARGPPARACYP2C9KCNH2
SCHEMBL4743931 0.80 KDR (0.61) PPARGPPARACYP2C9KCNH2FFAR1
SCHEMBL4748548 0.78 PPARG (0.55) PPARGPPARACYP2C9KCNH2MAPT
SCHEMBL21618308 0.78 HTR2C (0.46)
SCHEMBL4743666 0.77 KDR (0.60) PPARGPPARACYP2C9KCNH2FFAR1

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