SCHEMBL8772695

SCHEMBL8772695

COC=C(C(=O)OC)c1ccccc1CON=C(C)c1noc2cc(OCc3ccccc3C(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
HIF1A Q16665 5/20 0.38
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
AR P10275 3/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL9057286 1.00 MAOB (0.39) MAOBMAOAHIF1AALOX5ALOX5AP
SCHEMBL9055753 0.90 HIF1A (0.42) MAOBMAOAHIF1AAR
SCHEMBL8772917 0.90 HIF1A (0.42) MAOBMAOAHIF1AAR
SCHEMBL8772880 0.89 HIF1A (0.44) MAOBHIF1A
SCHEMBL9057229 0.89 HIF1A (0.44) MAOBHIF1A
SCHEMBL9056334 0.88 HIF1A (0.37) HIF1ANR1H4
SCHEMBL9055642 0.87 NR1H4 (0.36) MAOBMAOAHIF1ANR1H4
SCHEMBL9055635 0.87 NR1H4 (0.36) MAOBMAOAHIF1ANR1H4
SCHEMBL9056410 0.87 HIF1A (0.35) MAOBMAOAHIF1ANR1H4
SCHEMBL9056404 0.87 HIF1A (0.35) MAOBMAOAHIF1ANR1H4

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 3 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
EP-0789692-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM Novartis AG (CH) 1997-08-20 EP disclosed
WO-1996014305-A1 BENZISOXAZOLE DERIVATIVES AND PESTICIDAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-05-17 WO disclosed