SCHEMBL22296843

SCHEMBL22296843

O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1ccc3c(c1)NCC3)C2)C(=O)O)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 20/20 0.64
▸ ITGB2 P05107 19/20 0.64
▸ ICAM1 P05362 19/20 0.64

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
SCHEMBL17991461 0.89 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL17991454 0.87 ITGAL (0.65) ITGALITGB2ICAM1
SCHEMBL13813603 0.82 ITGAL (0.67) ITGALITGB2ICAM1
SCHEMBL16731604 0.82 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL18868505 0.80 ITGB2 (0.80) ITGALITGB2ICAM1
SCHEMBL19158522 0.79 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL12169926 0.77 ITGAL (0.65) ITGALITGB2ICAM1
SCHEMBL10129644 0.77 ITGB2 (1.00) ITGALITGB2ICAM1
SCHEMBL23176585 0.76 ITGAL (0.59) ITGALITGB2ICAM1
SCHEMBL22296844 0.76 ITGAL (0.59) ITGALITGB2ICAM1

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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