SCHEMBL22296980

SCHEMBL22296980

CS(=O)(=O)c1cccc(CC(NC(=O)c2c(Cl)cc(CNC(=O)c3ccc4ccoc4c3)cc2Cl)C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 19/20 0.66
▸ ICAM1 P05362 19/20 0.66
▸ ITGAL P20701 19/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL12169793 1.00 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9ALDH1A1
SCHEMBL12054460 0.92 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9ALDH1A1
SCHEMBL18868499 0.92 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9ALDH1A1
SCHEMBL19157599 0.91 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9ALDH1A1
SCHEMBL18867833 0.89 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL28765684 0.87 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL28730913 0.86 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL28730910 0.86 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29402123 0.86 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20683216 0.84 ITGB2 (0.52) ITGB2ICAM1ITGALCYP2C9ALDH1A1

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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