SCHEMBL4744758

SCHEMBL4744758

ClCc1cccc(OCc2coc(-c3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.59
FFAR1 O14842 3/20 0.55
PPARG P37231 10/20 0.53
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
KDR P35968 1/20 0.46

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
SCHEMBL4747894 0.88 PPARA (0.62) PPARAFFAR1PPARGDRD2DRD4
SCHEMBL4748241 0.86 PPARA (0.62) PPARAFFAR1PPARG
SCHEMBL4744857 0.86 FFAR1 (0.68) PPARAFFAR1PPARGDRD2DRD4
SCHEMBL5761027 0.85 PPARA (0.49) PPARAFFAR1PPARGDRD2DRD4
SCHEMBL4748219 0.79 MAOA (0.56) PPARAFFAR1PPARG
SCHEMBL5400326 0.78 FFAR1 (0.55) PPARAFFAR1PPARGDRD2DRD4
SCHEMBL4746564 0.77 PPARA (0.64) PPARAFFAR1PPARGKDR
SCHEMBL5761300 0.76 PPARA (0.51) PPARAFFAR1PPARG
SCHEMBL7156371 0.76 PPARA (0.50) PPARAFFAR1PPARGDRD2DRD4
SCHEMBL4033640 0.76 KDR (0.79) PPARAFFAR1PPARGKDR

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