SCHEMBL28927236

SCHEMBL28927236

CS(=O)(=O)CC(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.77
▸ ICAM1 P05362 20/20 0.77
▸ ITGAL P20701 20/20 0.77
▸ CYP2C9 P11712 1/20 0.76

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
SCHEMBL28927235 1.00 ITGB2 (0.77) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12507169 0.89 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4880004 0.88 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13894223 0.88 ITGB2 (0.73) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22296810 0.88 ITGB2 (0.71) ITGB2ICAM1ITGALCYP2C9
SCHEMBL16769470 0.87 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22593249 0.87 ITGB2 (0.68) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755908 0.87 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL879369 0.87 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13813648 0.87 ITGB2 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557939-A Method for preparing high-purity sitaxetil 广东和博制药有限公司 2023-01-03 — — CN disclosed
Send feedback