SCHEMBL18868566

SCHEMBL18868566

O=C(N[C@@H](Cc1cccc([SH](=O)=O)c1)C(=O)O)c1c(Cl)cc2c(c1Cl)CCN(CCC(O)c1cccc(Cl)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.55
▸ ICAM1 P05362 20/20 0.55
▸ ITGAL P20701 20/20 0.55
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL4755894 0.88 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13894114 0.80 ITGAL (0.48) ITGB2ICAM1ITGAL
SCHEMBL18867977 0.80 ITGAL (0.49) ITGB2ICAM1ITGAL
SCHEMBL18867985 0.80 ITGB2 (0.78) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13894278 0.80 ITGB2 (0.42) ITGB2ICAM1ITGAL
SCHEMBL18868508 0.79 ITGAL (0.46) ITGB2ICAM1ITGAL
SCHEMBL18868608 0.78 ITGAL (0.45) ITGB2ICAM1ITGAL
SCHEMBL13894065 0.78 ITGAL (0.48) ITGB2ICAM1ITGAL
SCHEMBL18868013 0.77 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12169926 0.76 ITGAL (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3797775-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY Novartis AG (CH) 2021-03-31 — — EP disclosed
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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