SCHEMBL4746609

SCHEMBL4746609

COC(=O)[C@H]1CCN1Cc1ccc(OCCc2nc(-c3ccc(C)cc3)oc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.56
PPARA Q07869 14/20 0.56
PPARD Q03181 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
SCHEMBL4746614 1.00 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL4746709 0.92 PPARG (0.55) PPARGPPARA
SCHEMBL4746707 0.92 PPARG (0.55) PPARGPPARA
SCHEMBL4744671 0.91 PPARG (0.54) PPARGPPARA
SCHEMBL4744673 0.91 PPARG (0.54) PPARGPPARA
SCHEMBL4853726 0.90 PPARA (0.54) PPARGPPARA
SCHEMBL4744694 0.90 PPARG (0.55) PPARGPPARA
SCHEMBL4743787 0.87 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4743784 0.87 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL4748101 0.87 PPARG (0.53) 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