SCHEMBL13668205

SCHEMBL13668205

C=C(O)/C=C(/C(=O)N1CCc2c(cc(Cl)c(C(=O)N[C@H](C=O)CNC(=O)C3CC=CS3)c2Cl)C1)c1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.41
▸ ICAM1 P05362 20/20 0.41
▸ ITGAL P20701 20/20 0.41

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
SCHEMBL13668401 0.85 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL13662080 0.68 ITGB2 (0.79) ITGB2ICAM1ITGAL
SCHEMBL13662177 0.65 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL22296990 0.64 ITGB2 (0.80) ITGB2ICAM1ITGAL
SCHEMBL13662126 0.64 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL10157546 0.62 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL12652125 0.62 ITGB2 (0.45) ITGB2ICAM1ITGAL
SCHEMBL22297018 0.62 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL13662081 0.61 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL13662092 0.61 ITGB2 (0.62) 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
WO-2009128933-A1 AEROSOLIZED LFA-1 ANTAGONISTS FOR USE IN LOCALIZED TREATMENT OF IMMUNE RELATED DISORDERS SARCODE CORPORATION (US) 2009-10-22 — — WO disclosed
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