SCHEMBL19157703

SCHEMBL19157703

Cc1cc(CCC(O)c2cccc(O)c2)cc(Cl)c1C(=O)NC(CN/C(=N\C#N)N1CCCC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 11/20 0.56
▸ ITGB2 P05107 10/20 0.34
▸ ICAM1 P05362 10/20 0.34
▸ ITGB1 P05556 8/20 0.33
▸ ITGA4 P13612 6/20 0.33
▸ ITGB7 P26010 4/20 0.33
▸ ITGA2 P17301 1/20 0.32
▸ ITGA5 P08648 3/20 0.32
▸ ITGAV P06756 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
SCHEMBL23153584 0.95 ITGAL (0.62) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL12169811 0.95 ITGAL (0.62) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL19157868 0.95 ITGAL (0.62) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL17991456 0.95 ITGAL (0.62) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL18885625 0.87 ITGAL (0.60) ITGALITGB1ITGA4ITGB7ITGA2
SCHEMBL17991450 0.87 ITGAL (0.57) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL12169805 0.86 ITGAL (0.58) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL17991432 0.86 ITGAL (0.58) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL22296921 0.86 ITGAL (0.58) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL4756091 0.86 ITGAL (0.58) ITGALITGB2ICAM1ITGB1ITGA4

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-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 — — EP disclosed
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