SCHEMBL10728554

SCHEMBL10728554

COc1ccc(C=CC=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.70
PTGS2 P35354 5/20 0.69
PTGS1 P23219 1/20 0.69
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
NFE2L2 Q16236 1/20 0.63
TLR9 Q9NR96 1/20 0.62
FBP1 P09467 2/20 0.62
CYP19A1 P11511 1/20 0.58
MAPT P10636 3/20 0.55
SNCA P37840 3/20 0.53

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
SCHEMBL10728549 1.00 APP (0.70) APPPTGS2PTGS1MAOAMAOB
SCHEMBL1005734 0.93 PTGS2 (0.78) APPPTGS2PTGS1MAOAMAOB
SCHEMBL1005735 0.93 PTGS2 (0.78) APPPTGS2PTGS1MAOAMAOB
SCHEMBL9589678 0.87 MAOB (0.64) APPPTGS2PTGS1MAOAMAOB
SCHEMBL9589680 0.87 MAOB (0.64) APPPTGS2PTGS1MAOAMAOB
SCHEMBL14880486 0.86 PTGS2 (0.63) APPPTGS2PTGS1MAOAMAOB
SCHEMBL8721746 0.85 MAOB (0.66) APPPTGS2PTGS1MAOAMAOB
SCHEMBL8721744 0.85 MAOB (0.66) APPPTGS2PTGS1MAOAMAOB
SCHEMBL7622323 0.85 APP (0.95) APPPTGS2PTGS1MAOBFBP1
SCHEMBL11121103 0.85 APP (0.95) APPPTGS2PTGS1MAOBFBP1

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
JP-62136601-A None JP disclosed
JP-S62136601-A ORGANIC NONLINEAR OPTICAL MATERIAL NIPPON TELEGR & TELEPH CORP <NTT> 1987-06-19 JP disclosed