SCHEMBL4746580

SCHEMBL4746580

ClCc1ccc(OCCc2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.56
PPARG P37231 13/20 0.47
PPARA Q07869 11/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
HRH3 Q9Y5N1 1/20 0.42
PPARD Q03181 3/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39

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
SCHEMBL4787746 0.88 NPC1 (0.43) FFAR1PPARGPPARAHRH3
SCHEMBL7159209 0.87 FFAR1 (0.56) FFAR1PPARGPPARADRD2DRD4
SCHEMBL4748088 0.87 FFAR1 (0.59) FFAR1PPARGPPARADRD2DRD4
SCHEMBL4744857 0.87 FFAR1 (0.68) FFAR1PPARGPPARADRD2DRD4
SCHEMBL5099205 0.86 FFAR1 (0.60) FFAR1PPARGPPARADRD2DRD4
SCHEMBL4748030 0.84 PPARG (0.57) FFAR1PPARGPPARAHRH3PPARD
SCHEMBL7210573 0.84 FFAR1 (0.52) FFAR1PPARGPPARADRD2DRD4
SCHEMBL5111304 0.84 FFAR1 (0.58) FFAR1PPARGPPARADRD2DRD4
SCHEMBL8839945 0.84 FFAR1 (0.53) FFAR1PPARGPPARADRD2DRD4
SCHEMBL8623337 0.82 FFAR1 (0.59) FFAR1PPARGPPARAPPARD

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