SCHEMBL7619124

SCHEMBL7619124

CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)CCOO4)c(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 12/20 0.60
ITGB2 P05107 9/20 0.60
ICAM1 P05362 9/20 0.60
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 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
SCHEMBL7613911 0.92 ITGAL (0.62) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL7624289 0.89 ITGAL (0.75) ITGALITGB2ICAM1
SCHEMBL7612983 0.88 ITGAL (0.62) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL27492007 0.88 ITGAL (0.78) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6201065 0.88 ITGAL (0.78) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL7620000 0.87 ITGAL (0.47) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL7624300 0.85 ITGAL (0.74) ITGALITGB2ICAM1
SCHEMBL7611696 0.84 ITGAL (0.62) ITGALITGB2ICAM1KDM4EALDH1A1
SCHEMBL27492008 0.83 ITGB2 (0.40) ITGALITGB2ICAM1SMN1; SMN2KDM4E
SCHEMBL6198130 0.83 ITGAL (0.74) 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