SCHEMBL18868522

SCHEMBL18868522

COCCNNC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.70
▸ ICAM1 P05362 20/20 0.70
▸ ITGAL P20701 20/20 0.70
▸ CYP2C9 P11712 1/20 0.49

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
SCHEMBL13821996 0.90 ITGB2 (0.71) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13813595 0.89 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL4921952 0.88 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL13813569 0.88 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL12169812 0.88 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL18868483 0.87 ITGB2 (0.74) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13665300 0.87 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867970 0.86 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL25912527 0.84 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL13894063 0.83 ITGB2 (0.70) ITGB2ICAM1ITGALCYP2C9

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-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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