SCHEMBL6220982

SCHEMBL6220982

CC(C)c1ccccc1-c1c([N+](=O)[O-])[c]ccc1/C=C/C(=O)NN1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
ITGB2 P05107 7/20 0.33
ICAM1 P05362 7/20 0.33
ITGAL P20701 7/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6198675 0.81 ITGB2 (0.39) ALDH1A1ITGB2ICAM1ITGAL
SCHEMBL6217163 0.80 ITGB2 (0.42) ALDH1A1KMT2AITGB2ICAM1ITGAL
SCHEMBL6260235 0.80 ITGB2 (0.40) ALDH1A1KMT2AITGB2ICAM1ITGAL
SCHEMBL6219442 0.80 ITGB2 (0.51) ALDH1A1KMT2AITGB2ICAM1ITGAL
SCHEMBL6220006 0.80 CHRM3 (0.39) ALDH1A1
SCHEMBL6219275 0.79 ITGB2 (0.51) ALDH1A1KMT2AMEN1ITGB2ICAM1
SCHEMBL6218451 0.79 ITGB2 (0.42) ALDH1A1KMT2AMEN1ITGB2ICAM1
SCHEMBL6214562 0.79 ITGAL (0.56) ALDH1A1KMT2AMEN1ITGB2ICAM1
SCHEMBL6219377 0.79 MAPK1 (0.47) ALDH1A1KMT2AITGB2ICAM1ITGAL
SCHEMBL6219369 0.78 ITGB2 (0.47) KMT2AMEN1ITGB2ICAM1ITGAL

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 7 patents. 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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO claimed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO disclosed