SCHEMBL13894278

SCHEMBL13894278

O=C(O)CNC(=O)c1c(Cl)cc2c(c1Cl)CCN(CCC(O)c1cccc(Cl)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 18/20 0.42
▸ ICAM1 P05362 18/20 0.42
▸ ITGAL P20701 18/20 0.42
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL13894134 0.92 ITGAL (0.41) ITGB2ICAM1ITGAL
SCHEMBL18868566 0.80 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL13894065 0.79 ITGAL (0.48) ITGB2ICAM1ITGAL
SCHEMBL18868608 0.79 ITGAL (0.45) ITGB2ICAM1ITGAL
SCHEMBL4755894 0.78 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL13894114 0.78 ITGAL (0.48) ITGB2ICAM1ITGAL
SCHEMBL18362338 0.78 OPRM1 (0.38) ITGB2ICAM1ITGAL
SCHEMBL18868508 0.76 ITGAL (0.46) ITGB2ICAM1ITGAL
SCHEMBL18868588 0.75 ITGAL (0.39) ITGB2ICAM1ITGAL
SCHEMBL23176446 0.75 ITGAL (0.48) 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
WO-2009054914-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY SARCODE CORPORATION (US) 2009-04-30 — — WO disclosed
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