SCHEMBL8140664

SCHEMBL8140664

C=C(C)C(=O)OC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
ALDH1A1 P00352 6/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 3/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL8154832 0.87 POLB (0.49) POLBALDH1A1ITGB2ICAM1ITGAL
SCHEMBL23843918 0.87 POLB (0.62) POLBALDH1A1OPRM1OPRK1KMT2A
SCHEMBL8148554 0.85 ALDH1A1 (0.56) POLBALDH1A1ITGB2ICAM1ITGAL
SCHEMBL8149173 0.83 ITGB2 (0.66) POLBALDH1A1ITGB2ICAM1ITGAL
SCHEMBL8149790 0.80 ITGB2 (0.50) POLBITGB2ICAM1ITGALKMT2A
SCHEMBL8153364 0.78 KDM4E (0.40) MAPTSMN1; SMN2LMNA
SCHEMBL8148847 0.76 ITGAL (0.45) ALDH1A1ITGB2ICAM1ITGALMAPT
SCHEMBL8155126 0.75 KDM4E (0.55) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL23843920 0.75 HPGD (0.47) POLBITGB2ICAM1ITGALMAPT
SCHEMBL8141106 0.74 RAB9A (0.59) POLBALDH1A1KMT2AMEN1MAPT

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
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US disclosed