SCHEMBL4747894

SCHEMBL4747894

OCc1cccc(OCc2coc(-c3ccccc3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.62
KDR P35968 1/20 0.61
FFAR1 O14842 3/20 0.58
GPBAR1 Q8TDU6 1/20 0.55
CYSLTR1 Q9Y271 1/20 0.55
PPARG P37231 9/20 0.54
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 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
SCHEMBL4746564 0.89 PPARA (0.64) PPARAKDRFFAR1GPBAR1CYSLTR1
SCHEMBL4748568 0.88 KDR (0.53) PPARAKDRFFAR1GPBAR1CYSLTR1
SCHEMBL4744758 0.88 PPARA (0.59) PPARAKDRFFAR1PPARGDRD2
SCHEMBL4744035 0.86 PPARA (0.65) PPARAKDRFFAR1GPBAR1CYSLTR1
SCHEMBL4747041 0.86 FFAR1 (0.72) PPARAKDRFFAR1CYSLTR1PPARG
SCHEMBL27321832 0.80 KDR (0.53) PPARAKDRFFAR1GPBAR1CYSLTR1
SCHEMBL4748219 0.79 MAOA (0.56) PPARAFFAR1PPARG
SCHEMBL27921625 0.78 PPARA (0.57) PPARAFFAR1GPBAR1CYSLTR1PPARG
SCHEMBL5761027 0.78 PPARA (0.49) PPARAFFAR1PPARGTSHRSMN1; SMN2
SCHEMBL9173551 0.77 PPARA (0.62) PPARAFFAR1PPARGTSHRSMN1; SMN2

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