SCHEMBL4746593

SCHEMBL4746593

COC(=O)[C@@H]1COCCN1Cc1cccc(OCc2nc(-c3ccccc3)oc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.57
PPARG P37231 16/20 0.52
PPARA Q07869 16/20 0.52
CYP2C9 P11712 2/20 0.48
KCNH2 Q12809 2/20 0.48
MAPT P10636 1/20 0.47
FFAR1 O14842 1/20 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
SCHEMBL4747418 0.94 PPARG (0.56) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4747030 0.93 PPARG (0.57) PPARGPPARA
SCHEMBL4748435 0.93 KDR (0.59) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4747572 0.93 KDR (0.59) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4746249 0.91 FFAR1 (0.55) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4747967 0.91 PPARG (0.53) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4747378 0.89 KDR (0.58) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4748578 0.89 KDR (0.58) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4747374 0.89 KDR (0.58) KDRPPARGPPARAMAPTFFAR1
SCHEMBL4747301 0.88 POLB (0.59) KDRPPARGPPARAMAPTFFAR1

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