SCHEMBL4756086

SCHEMBL4756086

CCCN(CCO)/C(=N\C#N)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(CCC(O)c1cccc(O)c1)C2)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 20/20 0.42
▸ ITGB2 P05107 19/20 0.42
▸ ICAM1 P05362 19/20 0.42

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
SCHEMBL17991429 0.97 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL17991438 0.92 ITGAL (0.42) ITGALITGB2ICAM1
SCHEMBL17992440 0.88 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL17991417 0.86 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL17991421 0.84 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL18868508 0.84 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL17991435 0.84 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL23153573 0.83 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL17992509 0.83 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL17991419 0.83 ITGAL (0.41) 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
US-8168655-B2 Compositions and methods for treatment of eye disorders SARCODE BIOSCIENCE INC. (US) 2012-05-01 — — US disclosed
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