SCHEMBL9766280

SCHEMBL9766280

C=C(C)C(=O)OCC.C=C(C)C(=O)OCCN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
PTGS2 P35354 3/20 0.44
MAOB P27338 2/20 0.40
MMP14 P50281 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLO1 Q04760 1/20 0.40
ADORA3 P0DMS8 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL6046909 0.96 MAPT (0.46) MAPTPTGS2MAOBMMP14ATM
SCHEMBL6046910 0.96 MAPT (0.46) MAPTPTGS2MAOBMMP14ATM
SCHEMBL9638174 0.92 PTGS2 (0.45) MAPTPTGS2MAOBMMP14ATM
SCHEMBL9551059 0.89 MAPT (0.52) MAPTMMP14ATML3MBTL1LMNA
SCHEMBL9650794 0.88 MAPT (0.48) MAPTPTGS2MMP14MEN1KMT2A
SCHEMBL9650790 0.88 MAPT (0.48) MAPTPTGS2MMP14MEN1KMT2A
SCHEMBL9655690 0.86 PPARG (0.46) MAPTPTGS2MAOBATML3MBTL1
SCHEMBL9766276 0.85 BACE1 (0.43) MAPTPTGS2MMP14LMNAMEN1
SCHEMBL6046907 0.85 PTGS2 (0.44) MAPTPTGS2MAOBMMP14LMNA
SCHEMBL6046908 0.85 PTGS2 (0.44) MAPTPTGS2MAOBMMP14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991003683-A1 ACRYLIC COPOLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORP (US) 1991-03-21 WO disclosed