SCHEMBL19158408

SCHEMBL19158408

C#C/N=C(\NCC(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3s1)C2)C(=O)O)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.58
▸ ICAM1 P05362 20/20 0.58
▸ ITGAL P20701 20/20 0.58

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
SCHEMBL23153600 0.93 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL23992528 0.93 ITGB2 (0.56) ITGB2ICAM1ITGAL
SCHEMBL19158406 0.91 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL12054470 0.85 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL22296879 0.85 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL4756130 0.85 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL17991440 0.84 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL13894226 0.83 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL12062979 0.83 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL15503295 0.83 ITGB2 (0.58) ITGB2ICAM1ITGAL

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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