SCHEMBL13668402

SCHEMBL13668402

C[S+]([O-])c1cc(F)cc(C[C@@H](C=O)NC(=O)c2c(Cl)cc3c(c2Cl)CCN(O)C3)c1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.40
▸ ICAM1 P05362 20/20 0.40
▸ ITGAL P20701 20/20 0.40

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
SCHEMBL13662079 0.87 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL13658241 0.75 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL13668306 0.74 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL23153586 0.71 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL20618509 0.71 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL27044200 0.69 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL13667755 0.68 ITGB2 (0.84) ITGB2ICAM1ITGAL
SCHEMBL26876064 0.68 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL18867991 0.66 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL13662078 0.64 ITGB2 (0.80) 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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