SCHEMBL9840908

SCHEMBL9840908

COc1ccc(C=Cc2ccccc2)c([N+](=O)[O-])c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.53
NFE2L2 Q16236 4/20 0.50
TRPA1 O75762 1/20 0.50
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
TLR9 Q9NR96 1/20 0.47
PTGS2 P35354 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TUBB1 Q9H4B7 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL9840898 1.00 CYP19A1 (0.53) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2
SCHEMBL27841658 0.86 NFE2L2 (0.56) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2
SCHEMBL3247450 0.84 NFE2L2 (0.63) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2
SCHEMBL2112646 0.84 NFE2L2 (0.63) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2
SCHEMBL12362293 0.79 MEN1 (0.51) CYP19A1CYP1A2TLR9PTGS2MEN1
SCHEMBL27841655 0.77 CYP19A1 (0.58) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2
SCHEMBL27811651 0.76 CYP1A1 (0.60) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2
SCHEMBL6983829 0.76 TLR9 (0.69) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2
SCHEMBL1772911 0.74 CYP19A1 (0.42) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2
SCHEMBL9497290 0.73 CYP19A1 (0.61) CYP19A1NFE2L2TRPA1CYP1A1CYP1A2

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
CN-1024379-C Optical articles for wavelength conversion and their manufacture and use DU PONT (US) 1994-04-27 CN disclosed
CN-1053844-A Wavelength converter and manufacturing thereof and application DU PONT (US) 1991-08-14 CN disclosed
WO-1991003458-A1 NONLINEAR OPTICAL DEVICE FROM 3-METHYL-4-METHOXY-4'-NITROSTILBENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 WO disclosed