SCHEMBL6308992

SCHEMBL6308992

C=C(C(=O)NCCCN1CCCC1=O)c1ccc(Sc2ccccc2N2CCCC(C(=O)O)C2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 11/20 0.64
ICAM1 P05362 11/20 0.64
ITGAL P20701 11/20 0.64
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6310919 0.88 ITGB2 (0.71) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL6309030 0.84 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL6309016 0.77 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL6311580 0.76 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL6310956 0.75 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL6311938 0.75 ITGB2 (0.40) ITGB2ICAM1ITGAL
SCHEMBL30227629 0.74 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL6439742 0.74 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL6439738 0.74 ITGB2 (1.00) ITGB2ICAM1ITGALKMT2A
SCHEMBL6311802 0.73 SLC6A1 (0.41) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed