SCHEMBL13665399

SCHEMBL13665399

O=CCNC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.64
▸ ICAM1 P05362 20/20 0.64
▸ ITGAL P20701 20/20 0.64
▸ CYP2C9 P11712 1/20 0.60

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
SCHEMBL13665376 0.89 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29739237 0.85 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20617064 0.85 ITGB2 (0.61) ITGB2ICAM1ITGALCYP2C9
SCHEMBL10129634 0.85 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13666955 0.84 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL27044184 0.84 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20618441 0.84 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL30153488 0.84 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12507169 0.83 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL10129637 0.83 ITGB2 (0.62) ITGB2ICAM1ITGALCYP2C9

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 3 patents. 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
WO-2009128934-A1 TOPICAL LFA-1 ANTAGONISTS FOR USE IN LOCALIZED TREATMENT OF IMMUNE RELATED DISORDERS SARCODE CORPORATION (US) 2009-10-22 — — WO disclosed
WO-2009128932-A1 DELIVERY OF LFA-1 ANTAGONISTS TO THE GASTROINTESTINAL SYSTEM SARCODE CORPORATION (US) 2009-10-22 — — WO disclosed
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