SCHEMBL14613923

SCHEMBL14613923

NC(=O)C[C@H](NC(=O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 3/20 0.67
▸ ITGB2 P05107 2/20 0.52
▸ ICAM1 P05362 2/20 0.52
▸ PYGL P06737 2/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ KYNU Q16719 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ OPRK1 P41145 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ C3AR1 Q16581 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SLC16A3 O15427 1/20 0.36
▸ HPGDS O60760 2/20 0.36

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
SCHEMBL14614312 0.91 ITGAL (0.56) ITGALITGB2ICAM1PYGLCA2
SCHEMBL14614314 0.87 ITGAL (0.52) ITGALITGB2ICAM1PYGLCA2
SCHEMBL14614282 0.85 ITGAL (0.55) ITGALITGB2ICAM1PYGLCA2
SCHEMBL13666886 0.85 ITGAL (0.65) ITGALPYGLKYNUMRGPRX4ITGB1
SCHEMBL14614083 0.83 ITGAL (0.48) ITGALITGB2ICAM1PYGLCA2
SCHEMBL14614003 0.83 ITGAL (0.51) ITGALITGB2ICAM1PYGLCA2
SCHEMBL18362373 0.81 ITGAL (0.55) ITGALKYNUMEN1KMT2AOPRK1
SCHEMBL18885222 0.81 ITGAL (0.66) ITGALITGB2ICAM1KYNUMEN1
SCHEMBL10112626 0.81 ITGAL (0.65) ITGALITGB2ICAM1KYNUMEN1
SCHEMBL12063569 0.81 ITGAL (1.00) ITGALITGB2ICAM1ITGB1ITGA4

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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