SCHEMBL6260235

SCHEMBL6260235

CC(C)c1ccccc1-c1c([N+](=O)[O-])[c]ccc1/C=C/C(=O)N1CCN(NC=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 14/20 0.40
ICAM1 P05362 14/20 0.40
ITGAL P20701 14/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6218451 0.90 ITGB2 (0.42) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6217163 0.89 ITGB2 (0.42) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6219442 0.89 ITGB2 (0.51) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6216686 0.86 ITGB2 (0.41) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6220461 0.86 KMT2A (0.44) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6218734 0.86 KMT2A (0.42) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6219275 0.86 ITGB2 (0.51) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6217712 0.85 KMT2A (0.43) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6217240 0.85 ITGB2 (0.42) ITGB2ICAM1ITGALKMT2AALDH1A1
SCHEMBL6220457 0.84 ITGB2 (0.41) ITGB2ICAM1ITGALKMT2AALDH1A1

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
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed