SCHEMBL8278643

SCHEMBL8278643

O=C(N[C@@H](Cc1ccc(OC(=C2CC2)N2CCCC2)cc1)C(=O)O)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.67
ITGA4 P13612 17/20 0.67
ITGB7 P26010 12/20 0.67
ITGA5 P08648 2/20 0.49
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13601993 0.88 ITGB1 (0.84) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL13602017 0.87 ITGB1 (0.82) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL11750694 0.81 ITGB1 (0.72) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL13602006 0.80 ITGB1 (0.79) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL13602106 0.80 ITGB1 (1.00) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL8278642 0.80 ITGA4 (0.79) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL13601998 0.80 ITGB1 (0.75) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL13601958 0.79 ITGB1 (0.76) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL14603025 0.79 ITGA4 (0.68) ITGB1ITGA4ITGB7ITGA5ITGB3
SCHEMBL14603020 0.79 ITGB1 (0.74) ITGB1ITGA4ITGB7ITGA5ITGB3

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
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 WO disclosed