SCHEMBL14614057

SCHEMBL14614057

NC(=O)C[C@H](NC(=O)c1c(Cl)cc(OCCOc2cccc(O)c2)cc1Cl)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 3/20 0.54
▸ ITGB2 P05107 2/20 0.54
▸ ICAM1 P05362 2/20 0.54
▸ ITGB1 P05556 11/20 0.47
▸ ITGA5 P08648 10/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ PYGL P06737 2/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ITGB3 P05106 2/20 0.40
▸ ITGAV P06756 2/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40
▸ ITGA4 P13612 1/20 0.39

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
SCHEMBL14613756 0.97 ITGAL (0.53) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14614003 0.85 ITGAL (0.51) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14614046 0.79 HTT (0.47) ITGB1ITGA5CA1CA2MEN1
SCHEMBL14614282 0.78 ITGAL (0.55) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14614020 0.76 ITGAL (0.53) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14613923 0.76 ITGAL (0.67) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14614082 0.75 PYGL (0.45) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14614312 0.75 ITGAL (0.56) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14614314 0.75 ITGAL (0.52) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14614311 0.74 ITGAL (0.48) ITGALITGB2ICAM1ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 — — EP disclosed
EP-1063982-B1 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH INC (US) 2007-02-14 — — EP disclosed
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