SCHEMBL20833868

SCHEMBL20833868

CS(=O)(=O)c1cccc(CC(NC(=O)c2ccc3c(c2)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.75
▸ ICAM1 P05362 20/20 0.75
▸ ITGAL P20701 20/20 0.75
▸ CYP2C9 P11712 1/20 0.75

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
SCHEMBL20833712 1.00 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL15497989 0.92 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22693777 0.91 ITGB2 (0.79) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22476509 0.91 ITGB2 (0.79) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833719 0.88 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22693776 0.88 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL28765684 0.86 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL22556043 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL31010393 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL2632068 0.86 ITGB2 (1.00) 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
WO-2019053607-A1 PROCESS FOR PREPARATION OF LIFITEGRAST GLENMARK PHARMACEUTICALS LIMITED (IN) 2019-03-21 — — WO disclosed
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