SCHEMBL6344231

SCHEMBL6344231

COc1ccc(C(CC(=O)O)NC(=O)C(CC(=O)N(C)c2ccc(NC(=O)Nc3ccccc3C)cc2)CC(C)C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.57
ITGA4 P13612 13/20 0.57
ITGB7 P26010 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL6340843 0.92 ITGB1 (0.57) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A
SCHEMBL6343632 0.89 ITGB1 (0.60) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A
SCHEMBL6353994 0.89 ITGB1 (0.59) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A
SCHEMBL6353843 0.86 ITGB1 (0.64) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A
SCHEMBL6354005 0.85 ITGB1 (0.56) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A
SCHEMBL6344233 0.85 ITGB1 (0.59) ITGB1ITGA4ITGB7SMN1; SMN2POLB
SCHEMBL6340839 0.85 ITGB1 (0.55) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A
SCHEMBL6343898 0.81 ITGB1 (0.63) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A
SCHEMBL6788710 0.81 ITGB1 (0.51) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A
SCHEMBL6786166 0.80 ITGB1 (0.61) ITGB1ITGA4ITGB7SMN1; SMN2KMT2A

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