SCHEMBL9055753

SCHEMBL9055753

CO/C=C(/C(=O)OC)c1ccccc1CO/N=C(/C)c1noc2cc(OCc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.42
PPARD Q03181 3/20 0.39
PPARA Q07869 2/20 0.39
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
AR P10275 2/20 0.37
PPARG P37231 1/20 0.36
OPRL1 P41146 1/20 0.36
SMPD1 P17405 1/20 0.36

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
SCHEMBL8772917 1.00 HIF1A (0.42) HIF1APPARDPPARAMAOBMAOA
SCHEMBL8772880 0.93 HIF1A (0.44) HIF1APPARDPPARAMAOBPPARG
SCHEMBL9057229 0.93 HIF1A (0.44) HIF1APPARDPPARAMAOBPPARG
SCHEMBL8772695 0.90 MAOB (0.39) HIF1AMAOBMAOAAR
SCHEMBL9057286 0.90 MAOB (0.39) HIF1AMAOBMAOAAR
SCHEMBL9056334 0.86 HIF1A (0.37) HIF1A
SCHEMBL9056410 0.85 HIF1A (0.35) HIF1AMAOBMAOA
SCHEMBL9056404 0.85 HIF1A (0.35) HIF1AMAOBMAOA
SCHEMBL9055635 0.85 NR1H4 (0.36) HIF1AMAOBMAOA
SCHEMBL9055642 0.85 NR1H4 (0.36) HIF1AMAOBMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996014305-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-05-17 WO claimed
WO-1996014305-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-05-17 WO disclosed