SCHEMBL7469934

SCHEMBL7469934

C=CCC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 3/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
CTSD P07339 1/20 0.38

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
SCHEMBL7461662 0.86 ITGB3 (0.48) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL6438227 0.86 ALDH1A1 (0.46) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7469939 0.86 ALDH1A1 (0.46) LMNAALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL7462284 0.86 ALDH1A1 (0.46) LMNAALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL7462011 0.84 KMT2A (0.47) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7466885 0.82 CTNNB1 (0.47) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7468351 0.81 RAB9A (0.45) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7463407 0.80 ITGB3 (0.42) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7462096 0.80 MMP2 (0.46) ITGB3ITGA2BLMNAALDH1A1MAPT
SCHEMBL7472824 0.80 MAPT (0.42) ITGB3ITGA2BLMNAALDH1A1MAPT

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