SCHEMBL18867834

SCHEMBL18867834

CS(=O)(=O)c1cccc(CC(NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4cn[nH]c4c2)C3)C(=O)O)c1

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 0.77

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
SCHEMBL879396 1.00 ITGB2 (0.77) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18881150 0.94 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662248 0.90 ITGB2 (0.63) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13658250 0.89 ITGB2 (0.77) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821853 0.89 ITGB2 (0.63) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13666885 0.88 ITGB2 (0.61) ITGB2ICAM1ITGALCYP2C9
SCHEMBL16351763 0.88 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4756031 0.87 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL31010393 0.87 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL22556043 0.87 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-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 — — EP disclosed
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
Send feedback