SCHEMBL4756091

SCHEMBL4756091

N#C/N=C(/NC[C@H](NC(=O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl)C(=O)O)N1CC[C@H](O)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 14/20 0.58
▸ ITGB2 P05107 13/20 0.33
▸ ICAM1 P05362 13/20 0.33
▸ ITGA4 P13612 4/20 0.33
▸ ITGB1 P05556 5/20 0.32
▸ ITGA5 P08648 4/20 0.32
▸ ITGAV P06756 2/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGB5 P18084 1/20 0.32
▸ ITGB8 P26012 1/20 0.32

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
SCHEMBL17991431 1.00 ITGAL (0.58) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL22296921 1.00 ITGAL (0.58) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL17991432 1.00 ITGAL (0.58) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL12169805 1.00 ITGAL (0.58) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL22296859 0.92 ITGAL (0.48) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL17991450 0.92 ITGAL (0.57) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL23153584 0.91 ITGAL (0.62) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL19157868 0.91 ITGAL (0.62) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL12169811 0.91 ITGAL (0.62) ITGALITGB2ICAM1ITGA4ITGB1
SCHEMBL17991456 0.91 ITGAL (0.62) ITGALITGB2ICAM1ITGA4ITGB1

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
US-8168655-B2 Compositions and methods for treatment of eye disorders SARCODE BIOSCIENCE INC. (US) 2012-05-01 — — US disclosed
US-8168655-B2 Compositions and methods for treatment of eye disorders SARCODE BIOSCIENCE INC. (US) 2012-05-01 — — US disclosed
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