SCHEMBL7618237

SCHEMBL7618237

COC(=O)C1CNCCN1C(=O)/C=C/c1ccc(Sc2ccc3c(c2)CCOO3)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 16/20 0.49
ITGB2 P05107 12/20 0.49
ICAM1 P05362 12/20 0.49
ANPEP P15144 3/20 0.35
MMP2 P08253 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL27491647 0.88 ITGAL (0.64) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6200575 0.88 ITGAL (0.64) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL7616863 0.87 ITGAL (0.49) ITGALITGB2ICAM1ANPEPMMP2
SCHEMBL6200571 0.84 ITGAL (0.34) ITGALITGB2ICAM1
SCHEMBL7611696 0.83 ITGAL (0.62) ITGALITGB2ICAM1
SCHEMBL7620000 0.82 ITGAL (0.47) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL7612914 0.82 ITGAL (0.55) ITGALITGB2ICAM1
SCHEMBL6200562 0.81 ITGB2 (0.42) ITGALITGB2ICAM1
SCHEMBL7624300 0.80 ITGAL (0.74) ITGALITGB2ICAM1
SCHEMBL7612983 0.79 ITGAL (0.62) ITGALITGB2ICAM1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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