SCHEMBL4744565

SCHEMBL4744565

CC(C)c1oc(-c2ccccc2)nc1CCOc1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.56
PPARA Q07869 16/20 0.48
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDR P35968 1/20 0.45
PPARD Q03181 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
SCHEMBL4744152 0.88 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL4396618 0.86 PPARG (0.62) PPARGPPARA
SCHEMBL4744513 0.83 KDR (0.66) PPARGPPARAKDR
SCHEMBL6157414 0.79 KDR (0.67) PPARGPPARAMAOAMAOBKDR
SCHEMBL4748511 0.77 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL14258669 0.76 PPARG (0.79) PPARGPPARA
SCHEMBL12601812 0.75 PPARG (0.79) PPARGPPARA
SCHEMBL7152950 0.75 PPARA (0.50) PPARGPPARAMAOAMAOB
SCHEMBL4746588 0.75 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL9910242 0.74 PPARG (0.70) 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