SCHEMBL7467434

SCHEMBL7467434

COc1ccc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)Cc2ccc(NC(=O)Nc3ccc(C)cn3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.50
ITGA4 P13612 10/20 0.50
POLB P06746 2/20 0.49
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGB7 P26010 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 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
SCHEMBL7687421 0.89 ITGB1 (0.51) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL7467201 0.89 ITGB1 (0.51) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL7468071 0.88 ITGB1 (0.44) ITGB1ITGA4SMN1; SMN2ITGB7MEN1
SCHEMBL7466878 0.87 ATM (0.43) ITGB1ITGA4EPHX2MAPTSMN1; SMN2
SCHEMBL7467449 0.87 ATM (0.43) ITGB1ITGA4EPHX2MAPTSMN1; SMN2
SCHEMBL7467369 0.86 ITGB1 (0.51) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL7463859 0.83 ITGB1 (0.55) ITGB1ITGA4POLBSMN1; SMN2ITGB7
SCHEMBL7468112 0.80 ITGB3 (0.50) ITGB1ITGA4POLBMAPTSMN1; SMN2
SCHEMBL6346378 0.80 POLB (0.51) ITGB1ITGA4POLBMAPTSMN1; SMN2
SCHEMBL7468535 0.79 ATM (0.45) ITGB1ITGA4EPHX2MEN1KMT2A

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-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed