SCHEMBL879397

SCHEMBL879397

NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.78
ICAM1 P05362 20/20 0.78
ITGAL P20701 20/20 0.78

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
SCHEMBL10129831 0.91 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL12507169 0.87 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL13658127 0.87 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL12500600 0.86 ITGB2 (0.73) ITGB2ICAM1ITGAL
SCHEMBL12060488 0.86 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL23992600 0.85 ITGB2 (0.85) ITGB2ICAM1ITGAL
SCHEMBL18362313 0.85 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL22296842 0.84 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL22296796 0.84 ITGB2 (0.77) ITGB2ICAM1ITGAL
SCHEMBL17991459 0.84 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-1682537-B1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC (US) 2012-03-28 EP disclosed