SCHEMBL8149173

SCHEMBL8149173

C=C(C)C(=O)OC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.66
ICAM1 P05362 1/20 0.66
ITGAL P20701 1/20 0.66
ALDH1A1 P00352 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.52
ACHE P22303 1/20 0.49
HSP90AA1 P07900 1/20 0.47
CCR6 P51684 1/20 0.47
MAOB P27338 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL8148554 0.88 ALDH1A1 (0.56) ITGB2ICAM1ITGALALDH1A1L3MBTL1
SCHEMBL8153879 0.87 ALDH1A1 (0.63) ITGB2ICAM1ITGALALDH1A1L3MBTL1
SCHEMBL8148369 0.84 L3MBTL1 (0.52) ITGB2ICAM1ITGALALDH1A1L3MBTL1
SCHEMBL8155029 0.84 ALDH1A1 (0.57) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL8140664 0.83 POLB (0.47) ITGB2ICAM1ITGALALDH1A1L3MBTL1
SCHEMBL8141106 0.83 RAB9A (0.59) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL8149790 0.83 ITGB2 (0.50) ITGB2ICAM1ITGALL3MBTL1MAPT
SCHEMBL23843918 0.82 POLB (0.62) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL8141167 0.81 P4HB (0.43) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL8146836 0.79 CCR2 (0.49) ALDH1A1L3MBTL1SMN1; SMN2LMNAGAA

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