SCHEMBL22296856

SCHEMBL22296856

C[S+]([O-])c1cccc(CC(NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2cccc(O)c2)C3)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.65
▸ ICAM1 P05362 20/20 0.65
▸ ITGAL P20701 20/20 0.65
▸ CYP2C9 P11712 1/20 0.60

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
SCHEMBL15726688 0.89 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821998 0.88 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20618445 0.88 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821872 0.87 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755855 0.86 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157676 0.86 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL26876064 0.86 ITGB2 (0.57) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13822008 0.85 ITGB2 (0.61) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19158033 0.84 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20618509 0.84 ITGB2 (0.55) 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
EP-3167886-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA NOVARTIS AG (CH) 2020-08-05 — — EP disclosed
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