SCHEMBL4748033

SCHEMBL4748033

COC(=O)[C@@H]1COCCN1Cc1ccc(OCc2nc(-c3ccc(C)cc3)oc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.54
PPARA Q07869 6/20 0.54
TP53 P04637 4/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 4/20 0.48
FFAR1 O14842 1/20 0.47
MAOB P27338 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL4746249 0.93 FFAR1 (0.55) PPARGPPARATP53POLBMAPT
SCHEMBL4744694 0.93 PPARG (0.55) PPARGPPARA
SCHEMBL4744410 0.92 PPARG (0.58) PPARGPPARATP53POLBMAPT
SCHEMBL4748439 0.92 PPARG (0.58) PPARGPPARATP53POLBMAPT
SCHEMBL4746623 0.91 PPARG (0.49) PPARGPPARATP53POLBMAPT
SCHEMBL4747418 0.90 PPARG (0.56) PPARGPPARATP53MAPTKMT2A
SCHEMBL4746707 0.90 PPARG (0.55) PPARGPPARATP53POLBMAPT
SCHEMBL4746709 0.90 PPARG (0.55) PPARGPPARATP53POLBMAPT
SCHEMBL4748103 0.88 PPARG (0.53) PPARGPPARATP53POLBMAPT
SCHEMBL4748101 0.88 PPARG (0.53) PPARGPPARATP53POLBMAPT

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