SCHEMBL4748568

SCHEMBL4748568

OCc1cccc(OCCc2coc(-c3ccccc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
PPARA Q07869 14/20 0.51
PPARG P37231 11/20 0.51
FFAR1 O14842 3/20 0.47
GPBAR1 Q8TDU6 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7156371 0.88 PPARA (0.50) PPARAPPARGFFAR1DRD2DRD4
SCHEMBL4747894 0.88 PPARA (0.62) KDRPPARAPPARGFFAR1GPBAR1
SCHEMBL4389591 0.87 PPARA (0.55) PPARAPPARGFFAR1
SCHEMBL4748088 0.86 FFAR1 (0.59) PPARAPPARGFFAR1DRD2DRD4
SCHEMBL4391056 0.84 PPARA (0.56) PPARAPPARGFFAR1
SCHEMBL4393196 0.83 PPARA (0.51) PPARAPPARGFFAR1
SCHEMBL4398735 0.81 PPARA (0.53) PPARAPPARGFFAR1
SCHEMBL5099205 0.80 FFAR1 (0.60) PPARAPPARGFFAR1DRD2DRD4
SCHEMBL7152950 0.80 PPARA (0.50) PPARAPPARGFFAR1
SCHEMBL5111304 0.79 FFAR1 (0.58) PPARAPPARGFFAR1DRD2DRD4

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 7 patents. 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
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US disclosed
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP disclosed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed