SCHEMBL9056546

SCHEMBL9056546

CC(=O)c1noc2cc(OCc3cccc(C(F)(F)F)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NR4A2 P43354 2/20 0.53
POLB P06746 1/20 0.50
ANO1 Q5XXA6 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48

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
SCHEMBL17338654 0.84 CASP3 (0.54) MAOB
SCHEMBL1324006 0.81 PPIA (0.50) MAOBMAPT
SCHEMBL8772880 0.76 HIF1A (0.44) MAOBMAPTHTTL3MBTL1POLB
SCHEMBL20463439 0.76 MAOB (1.00) MAOBMAPTHTTL3MBTL1NR4A2
SCHEMBL4306909 0.75 MAOB (0.52) MAOBNR4A2
SCHEMBL7351953 0.74 MAPT (0.84) MAOBMAPTHTTL3MBTL1NR4A2
SCHEMBL5617559 0.74 MAOB (1.00) MAOB
SCHEMBL6839182 0.73 MAOB (0.74) MAOBMAPTHTTL3MBTL1NR4A2
SCHEMBL1324010 0.72 MAOB (0.56) MAOBMAPTPPARG
SCHEMBL22386736 0.72 MAOB (0.77) MAOBMAPTHTTL3MBTL1NR4A2

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