SCHEMBL22296835

SCHEMBL22296835

O=C(N[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3c(c1)NC3)C2)C(=O)O)c1cccs1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.63
▸ ICAM1 P05362 20/20 0.63
▸ ITGAL P20701 20/20 0.63

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
SCHEMBL18868505 0.89 ITGB2 (0.80) ITGB2ICAM1ITGAL
SCHEMBL18867524 0.86 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL10168219 0.84 ITGB2 (0.83) ITGB2ICAM1ITGAL
SCHEMBL18867800 0.82 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL23176447 0.82 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL13813604 0.78 ITGB2 (0.87) ITGB2ICAM1ITGAL
SCHEMBL10129644 0.77 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL23153581 0.77 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL13658130 0.76 ITGB2 (0.80) ITGB2ICAM1ITGAL
SCHEMBL18868105 0.76 ITGB2 (0.61) ITGB2ICAM1ITGAL

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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