SCHEMBL8664849

SCHEMBL8664849

C=COC(=O)C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.54
BCHE P06276 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
MAOA P21397 4/20 0.51
CYP1B1 Q16678 1/20 0.50
APP P05067 1/20 0.50
HSPD1 P10809 1/20 0.49
HSPE1 P61604 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
FBP1 P09467 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KRAS P01116 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL10891855 0.82 MAPT (0.59) MAOBMAPTFBP1ALDH1A1
SCHEMBL11663868 0.82 MAPT (0.59) MAOBMAPTFBP1ALDH1A1
SCHEMBL1231449 0.81 CA12 (0.62) MAOBBCHEMEN1KMT2APTGS1
SCHEMBL9523424 0.81 MAOB (0.61) MAOBBCHEMEN1KMT2APTGS1
SCHEMBL17355377 0.81 MAOB (0.61) MAOBBCHEMEN1KMT2APTGS1
SCHEMBL25346297 0.81 PTGS2 (0.54) MAOBBCHEMEN1KMT2APTGS1
SCHEMBL5315888 0.81 MAOB (0.61) MAOBBCHEMEN1KMT2APTGS1
SCHEMBL15367534 0.81 MAOB (0.61) MAOBBCHEMEN1KMT2APTGS1
SCHEMBL522693 0.81 CA12 (0.62) MAOBBCHEMEN1KMT2APTGS1
SCHEMBL14433147 0.81 MAOB (0.57) MAOBBCHEMEN1KMT2APTGS1

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
EP-0883016-A1 Method for producing phase retarder films SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-09 EP disclosed