SCHEMBL22296928

SCHEMBL22296928

CSc1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2nc4ccccc4[nH]2)C3)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.57
▸ ICAM1 P05362 20/20 0.57
▸ ITGAL P20701 20/20 0.57
▸ CYP2C9 P11712 1/20 0.54

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
SCHEMBL4755918 0.89 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821853 0.83 ITGB2 (0.63) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821872 0.83 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20618491 0.81 ITGB2 (0.82) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13821849 0.81 ITGB2 (0.82) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868122 0.78 ITGB2 (0.56) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13822006 0.78 ITGB2 (0.56) ITGB2ICAM1ITGALCYP2C9
SCHEMBL10129729 0.77 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL10129730 0.77 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868534 0.75 ITGB2 (0.70) 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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