SCHEMBL9354586

SCHEMBL9354586

CCCCCCOc1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
ALDH1A1 P00352 3/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 1/20 0.46
NFE2L2 Q16236 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL9354592 1.00 PTGS2 (0.55) PTGS2ALDH1A1USP2HPGDXBP1
SCHEMBL9357861 0.97 PTGS2 (0.58) PTGS2ALDH1A1USP2HPGDXBP1
SCHEMBL9357864 0.97 PTGS2 (0.58) PTGS2ALDH1A1USP2HPGDXBP1
SCHEMBL9354225 0.92 PTGS2 (0.58) PTGS2ALDH1A1USP2HPGDXBP1
SCHEMBL9354231 0.92 PTGS2 (0.58) PTGS2ALDH1A1USP2HPGDXBP1
SCHEMBL9358343 0.87 PTGS2 (0.60) PTGS2ALDH1A1USP2HPGDXBP1
SCHEMBL9358350 0.87 PTGS2 (0.60) PTGS2ALDH1A1USP2HPGDXBP1
SCHEMBL9357939 0.86 PTGS2 (0.51) PTGS2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL9354747 0.86 PTGS2 (0.51) PTGS2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL9354050 0.86 PTGS2 (0.51) PTGS2ALDH1A1NPSR1MEN1KMT2A

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
EP-0357783-B1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES (JP) 1994-10-26 EP disclosed
EP-0357783-A1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-03-14 EP disclosed