SCHEMBL6346372

SCHEMBL6346372

COc1cc(NC(=O)CC(CC(C)C)C(=O)NC(CC(=O)O)c2ccc(OC)c(OC)c2)ccc1NC(=O)Nc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.47
ITGB1 P05556 3/20 0.46
ITGA4 P13612 3/20 0.46
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 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
SCHEMBL6340839 0.89 ITGB1 (0.55) POLBITGB1ITGA4ITGB3ITGA2B
SCHEMBL6343632 0.86 ITGB1 (0.60) POLBITGB1ITGA4ITGB3ITGA2B
SCHEMBL6344930 0.82 POLB (0.52) POLBITGB1ITGA4ITGB3ITGA2B
SCHEMBL7463859 0.81 ITGB1 (0.55) POLBITGB1ITGA4SMN1; SMN2RAB9A
SCHEMBL6344072 0.81 POLB (0.51) POLBITGB1ITGA4ITGB3ITGA2B
SCHEMBL6788398 0.81 POLB (0.51) POLBITGB1ITGA4ITGB3ITGA2B
SCHEMBL6788617 0.80 ITGB1 (0.58) POLBITGB1ITGA4ITGB3ITGA2B
SCHEMBL6346179 0.80 ITGB3 (0.50) POLBITGB1ITGA4ITGB3ITGA2B
SCHEMBL6346378 0.80 POLB (0.51) POLBITGB1ITGA4ITGB3ITGA2B
SCHEMBL6788710 0.79 ITGB1 (0.51) ALDH1A1POLBITGB1ITGA4ITGB3

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