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Sugi Predict / Compounds / SCHEMBL10168720

SCHEMBL10168720

SCHEMBL10168720

O=C[C@H](CNC(=O)N1C[C@@H](O)[C@@H](O)C1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3cn[nH]c3c1)C2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.47
▸ ICAM1 P05362 20/20 0.47
▸ ITGAL P20701 20/20 0.47

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
SCHEMBL879335 1.00 ITGB2 (0.47) ITGB2ICAM1ITGAL
SCHEMBL10168857 0.97 ITGB2 (0.45) ITGB2ICAM1ITGAL
SCHEMBL10167980 0.95 ITGB2 (0.46) ITGB2ICAM1ITGAL
SCHEMBL879373 0.93 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL879331 0.91 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL12371140 0.91 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL10130096 0.90 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL10130097 0.90 ITGB2 (0.59) ITGB2ICAM1ITGAL
SCHEMBL10157546 0.90 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL879398 0.88 ITGB2 (0.42) 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