SCHEMBL14614282

SCHEMBL14614282

NC(=O)C[C@H](NC(=O)c1c(Cl)cc(CCCc2cccc(O)c2)cc1Cl)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 3/20 0.55
▸ ITGB2 P05107 2/20 0.55
▸ ICAM1 P05362 2/20 0.55
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ CA2 P00918 3/20 0.44
▸ CA1 P00915 2/20 0.44
▸ PYGL P06737 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ITGB1 P05556 7/20 0.42
▸ ITGA5 P08648 5/20 0.42
▸ ITGA4 P13612 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGDS O60760 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ITGB7 P26010 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
SCHEMBL14614312 0.86 ITGAL (0.56) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL14613923 0.85 ITGAL (0.67) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL14614311 0.83 ITGAL (0.48) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL14614314 0.81 ITGAL (0.52) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL14614020 0.81 ITGAL (0.53) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL18362383 0.79 ITGAL (0.76) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14613756 0.79 ITGAL (0.53) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL23153595 0.78 ITGAL (0.66) ITGALITGB2ICAM1ITGB1ITGA5
SCHEMBL14614057 0.78 ITGAL (0.54) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL14614083 0.78 ITGAL (0.48) ITGALITGB2ICAM1MRGPRX4CA2

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 1 patent. 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
Send feedback