Sugi Predict

Sugi Predict / Compounds / SCHEMBL879343

SCHEMBL879343

SCHEMBL879343

C[C@H](CO)N/C(=N/C#N)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(C=N)c(N)c1)C2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.56
▸ ICAM1 P05362 20/20 0.56
▸ ITGAL P20701 20/20 0.56

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
SCHEMBL12054500 0.86 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL19158618 0.86 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL4921957 0.86 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL4921783 0.86 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL12169786 0.86 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL10156902 0.84 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL16727763 0.81 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL16851515 0.79 ITGB2 (0.57) ITGB2ICAM1ITGAL
SCHEMBL12169840 0.77 ITGB2 (0.71) ITGB2ICAM1ITGAL
SCHEMBL4756011 0.77 ITGB2 (0.71) 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