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SCHEMBL18868006

SCHEMBL18868006

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(C=N)c(N)c2)C3)C(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.79
▸ ICAM1 P05362 20/20 0.79
▸ ITGAL P20701 20/20 0.79
▸ CYP2C9 P11712 1/20 0.74

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
SCHEMBL18867963 0.95 ITGB2 (0.70) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756031 0.88 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13894072 0.88 ITGB2 (0.85) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821848 0.87 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157676 0.87 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755855 0.87 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868034 0.85 ITGB2 (0.79) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867992 0.85 ITGB2 (0.79) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755947 0.85 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL22556043 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3797775-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY Novartis AG (CH) 2021-03-31 — — EP disclosed
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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