SCHEMBL7612170

SCHEMBL7612170

Cc1cc2cc(-c3c(/C=C/C(=O)NCCCN4CCCC4=O)ccc(Sc4ccc(/C=C/C(=O)NCCCN5CCCC5=O)c(-c5ccc6[nH]c(C)cc6c5)c4Cl)c3Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.55
ICAM1 P05362 8/20 0.55
ITGAL P20701 8/20 0.55
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 4/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL6196912 0.86 ITGB2 (0.57) ITGB2ICAM1ITGALRAB9AKDM4E
SCHEMBL6197072 0.80 ITGB2 (0.55) ITGB2ICAM1ITGALRAB9AKDM4E
SCHEMBL5830524 0.79 ITGB2 (0.72) ITGB2ICAM1ITGALRAB9ACYP1A2
SCHEMBL6198618 0.79 ITGB2 (0.63) ITGB2ICAM1ITGALRAB9AKMT2A
SCHEMBL5829930 0.74 ITGB2 (0.70) ITGB2ICAM1ITGALRAB9AKDM4E
SCHEMBL6317156 0.73 ITGB2 (0.66) ITGB2ICAM1ITGALRAB9AKDM4E
SCHEMBL5830254 0.73 ITGB2 (0.70) ITGB2ICAM1ITGALRAB9ACYP1A2
SCHEMBL6220488 0.72 ITGB2 (0.49) ITGB2ICAM1ITGALRAB9ACYP1A2
SCHEMBL5830373 0.71 ITGB2 (0.56) ITGB2ICAM1ITGALRAB9AKDM4E
SCHEMBL6309487 0.71 ITGB2 (0.58) ITGB2ICAM1ITGALRAB9AKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

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