SCHEMBL22296845

SCHEMBL22296845

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 2/20 0.64
▸ ITGB1 P05556 11/20 0.38
▸ ITGA5 P08648 5/20 0.38
▸ ITGA4 P13612 6/20 0.33
▸ ITGAV P06756 2/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ ITGB7 P26010 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ KYNU Q16719 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
SCHEMBL23153599 0.93 ITGAL (0.64) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL10112626 0.91 ITGAL (0.65) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL19158608 0.89 ITGAL (0.62) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL18883515 0.89 ITGAL (0.61) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL18885225 0.89 ITGAL (0.61) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL19157785 0.88 ITGAL (0.63) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL4926853 0.88 ITGAL (0.63) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL13894422 0.88 ITGAL (0.65) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL18883796 0.87 ITGAL (0.61) ITGALITGB1ITGA5ITGA4ITGAV
SCHEMBL19157989 0.84 ITGAL (0.54) ITGALITGB1ITGA5SLC16A3LMNA

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-3167886-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA NOVARTIS AG (CH) 2020-08-05 — — EP disclosed
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