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SCHEMBL20618445

SCHEMBL20618445

C[S+]([O-])c1cccc(CC(NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.81
▸ ICAM1 P05362 20/20 0.81
▸ ITGAL P20701 20/20 0.81
▸ CYP2C9 P11712 1/20 0.77

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
SCHEMBL13821998 1.00 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867790 0.93 ITGB2 (0.80) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18885221 0.93 ITGB2 (0.80) ITGB2ICAM1ITGALCYP2C9
SCHEMBL24359993 0.92 ITGB2 (0.71) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13813644 0.91 ITGB2 (0.78) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18362309 0.90 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22583607 0.90 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL17991463 0.90 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL16846644 0.90 ITGB2 (0.85) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12704679 0.90 ITGB2 (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645529-B1 PROCESS FOR PREPARING LIFITEGRAST AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN LTD (TW) 2023-11-22 — — EP disclosed
WO-2019004936-A1 PROCESS FOR PREPARING LIFITEGRAST AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN, LTD. (TW) 2019-01-03 — — WO disclosed