SCHEMBL13894422

SCHEMBL13894422

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 2/20 0.65
▸ ITGB1 P05556 15/20 0.35
▸ ITGA5 P08648 6/20 0.35
▸ ITGA4 P13612 10/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAV P06756 3/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ITGB8 P26012 1/20 0.32
▸ ITGB7 P26010 4/20 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
SCHEMBL19157785 0.92 ITGAL (0.63) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL4926853 0.92 ITGAL (0.63) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL10112626 0.90 ITGAL (0.65) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL23153599 0.89 ITGAL (0.64) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL22296845 0.88 ITGAL (0.64) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL19158608 0.87 ITGAL (0.62) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL18885225 0.86 ITGAL (0.61) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL18883515 0.86 ITGAL (0.61) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL18883796 0.86 ITGAL (0.61) ITGALITGB1ITGA5ITGA4OPRK1
SCHEMBL19157989 0.86 ITGAL (0.54) ITGALITGB1ITGA5OPRK1SLC16A3

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
WO-2009054914-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE CORPORATION (US) 2009-04-30 — — WO disclosed
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