SCHEMBL10399728

SCHEMBL10399728

O=[N+]([O-])c1ccc(C=Cc2ccc(N(CCCCO)CCCCO)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.48
PTGS1 P23219 2/20 0.48
MAPT P10636 7/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
APP P05067 1/20 0.46
FBP1 P09467 2/20 0.45
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PPARG P37231 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCHE P06276 1/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9653040 0.99 PTGS2 (0.47) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9653034 0.99 PTGS2 (0.47) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL8422918 0.90 PTGS2 (0.51) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL8645474 0.90 PTGS2 (0.51) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9362316 0.86 MAPT (0.56) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9362320 0.86 MAPT (0.56) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL592174 0.84 MAPT (0.55) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL592173 0.84 MAPT (0.55) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9358492 0.84 MAPT (0.55) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9358488 0.84 MAPT (0.55) PTGS2PTGS1MAPTNPC1RAB9A

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-4963633-A Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1990-10-16 US disclosed
US-4929696-A Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1990-05-29 US disclosed
US-4922003-A Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1990-05-01 US disclosed
EP-0321891-A2 Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORPORATION (US) 1989-06-28 EP disclosed