SCHEMBL14614020

SCHEMBL14614020

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 3/20 0.53
▸ ITGB2 P05107 2/20 0.53
▸ ICAM1 P05362 2/20 0.53
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ PYGL P06737 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGDS O60760 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ITGB1 P05556 3/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14613998 0.89 ITGB2 (0.52) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL16286275 0.82 CA2 (0.48) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL15507458 0.82 CA2 (0.48) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL16286274 0.82 CA2 (0.48) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL3871439 0.82 ITGAL (0.51) ITGALITGB2ICAM1RAB9AALDH1A1
SCHEMBL14614282 0.81 ITGAL (0.55) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL3866996 0.79 ROCK2 (0.45) ITGALITGB2ICAM1RAB9AMEN1
SCHEMBL14613923 0.79 ITGAL (0.67) ITGALITGB2ICAM1MRGPRX4CA2
SCHEMBL30227636 0.78 ITGAL (0.51) ITGALITGB2ICAM1RAB9AMEN1
SCHEMBL16286432 0.78 ITGAL (0.51) ITGALITGB2ICAM1RAB9AMEN1

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
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