SCHEMBL22296791

SCHEMBL22296791

N[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCC(CCC(O)c1cccc(O)c1)C2)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 17/20 0.41
▸ KYNU Q16719 1/20 0.37
▸ ITGB2 P05107 16/20 0.37
▸ ICAM1 P05362 16/20 0.37
▸ PTGIR P43119 1/20 0.33
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL13894234 0.91 ITGAL (0.43) ITGALKYNUITGB2ICAM1
SCHEMBL13894119 0.90 ITGAL (0.41) ITGALKYNUITGB2ICAM1
SCHEMBL18867782 0.85 ITGAL (0.43) ITGALITGB2ICAM1
SCHEMBL17992463 0.82 ITGAL (0.43) ITGALITGB2ICAM1
SCHEMBL18868608 0.80 ITGAL (0.45) ITGALITGB2ICAM1
SCHEMBL23153579 0.79 ITGAL (0.42) ITGALITGB2ICAM1
SCHEMBL17991428 0.79 ITGAL (0.42) ITGALITGB2ICAM1
SCHEMBL16852204 0.79 ITGAL (0.41) ITGALITGB2ICAM1
SCHEMBL13894114 0.71 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL13894065 0.70 ITGAL (0.48) 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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