SCHEMBL10485379

SCHEMBL10485379

CCCCCCCCCCCCCCCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.71
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 5/20 0.54
MAOB P27338 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AHR P35869 1/20 0.51

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
SCHEMBL9827029 0.96 PTGS2 (0.77) PTGS2NCOA1NCOA3NPC1RAB9A
SCHEMBL9827026 0.96 PTGS2 (0.77) PTGS2NCOA1NCOA3NPC1RAB9A
SCHEMBL9308071 0.91 MAPT (0.62) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL5387345 0.91 MAPT (0.62) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL8410318 0.91 MAPT (0.62) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL51004 0.91 MAPT (0.62) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL5049067 0.91 MAPT (0.62) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL1963497 0.91 MAPT (0.62) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL9232088 0.91 MAPT (0.62) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL5052431 0.91 MAPT (0.62) PTGS2NPC1RAB9AMEN1KMT2A

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
US-4887889-A Organopolysiloxanes exhibiting nonlinear response HOECHST CELANESE CORPORATION (US) 1989-12-19 US disclosed
US-4855078-A Organopolysiloxanes exhibiting nonlinear response HOECHST CELANESE CORP. (US) 1989-08-08 US disclosed
US-4807968-A Polymer blends exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1989-02-28 US disclosed
US-4801659-A Organopolysiloxanes exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1989-01-31 US disclosed