SCHEMBL9196451

SCHEMBL9196451

C=CCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.68
PTGS1 P23219 2/20 0.51
MAOB P27338 1/20 0.51
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
APP P05067 1/20 0.50
FBP1 P09467 1/20 0.49
TLR9 Q9NR96 1/20 0.48
TP53 P04637 1/20 0.48
CYP19A1 P11511 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL9196447 1.00 PTGS2 (0.68) PTGS2PTGS1MAOBMAPTNPC1
SCHEMBL2052557 0.92 CA12 (0.54) PTGS2MAOBMAPTCA12CA1
SCHEMBL15998601 0.83 MAPT (0.50) PTGS2MAOBMAPTCA12CA1
SCHEMBL13963558 0.83 NPC1 (0.62) MAPTNPC1RAB9ATP53CA12
SCHEMBL20024679 0.83 NPC1 (0.62) MAPTNPC1RAB9ATP53CA12
SCHEMBL9827026 0.78 PTGS2 (0.77) PTGS2PTGS1MAOBMAPTNPC1
SCHEMBL9335745 0.78 PTGS2 (0.68) PTGS2PTGS1MAOBMAPTNPC1
SCHEMBL9827029 0.78 PTGS2 (0.77) PTGS2PTGS1MAOBMAPTNPC1
SCHEMBL9335748 0.78 PTGS2 (0.68) PTGS2PTGS1MAOBMAPTNPC1
SCHEMBL10563253 0.78 PTGS2 (0.57) PTGS2MAOBMAPTCA12CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471277-B1 Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEM RES (JP) 1995-11-15 EP disclosed
US-5329034-A Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-07-12 US disclosed
US-5326661-A Photorefractive polymers containing discrete photoconductive and electrooptical units HOECHST CELANESE CORP. (US) 1994-07-05 US disclosed
EP-0471277-A2 Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-02-19 EP disclosed