SCHEMBL6344233

SCHEMBL6344233

COc1ccc(C(CC(=O)O)NC(=O)C(CC(=O)NCc2ccc(NC(=O)Nc3ccccc3C)cc2)CC(C)C)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.59
ITGA4 P13612 17/20 0.59
ITGB7 P26010 1/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL6343632 0.92 ITGB1 (0.60) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL6340867 0.90 ITGB1 (0.58) ITGB1ITGA4ITGB7
SCHEMBL6353998 0.89 ITGB1 (0.61) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL6340839 0.88 ITGB1 (0.55) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL6344231 0.85 ITGB1 (0.57) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL6340843 0.84 ITGB1 (0.57) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL6788710 0.84 ITGB1 (0.51) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL6343898 0.82 ITGB1 (0.63) ITGB1ITGA4ITGB7POLBSMN1; SMN2
SCHEMBL5865240 0.82 ITGB1 (0.58) ITGB1ITGA4ITGB7SMN1; SMN2
SCHEMBL6354846 0.82 ITGB1 (0.49) ITGB1ITGA4POLBSMN1; SMN2

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-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US claimed