SCHEMBL8772895

SCHEMBL8772895

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.32
HIF1A Q16665 3/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL9056334 0.88 HIF1A (0.37) NR1H4HIF1A
SCHEMBL8772695 0.85 MAOB (0.39) NR1H4HIF1A
SCHEMBL9057286 0.85 MAOB (0.39) NR1H4HIF1A
SCHEMBL9055753 0.84 HIF1A (0.42) HIF1APPARGPPARDPPARA
SCHEMBL8772917 0.84 HIF1A (0.42) HIF1APPARGPPARDPPARA
SCHEMBL9056404 0.84 HIF1A (0.35) NR1H4HIF1A
SCHEMBL9056410 0.84 HIF1A (0.35) NR1H4HIF1A
SCHEMBL8772880 0.83 HIF1A (0.44) HIF1APPARGPPARDPPARA
SCHEMBL9057229 0.83 HIF1A (0.44) HIF1APPARGPPARDPPARA
SCHEMBL9055635 0.83 NR1H4 (0.36) NR1H4HIF1A

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