SCHEMBL7462011

SCHEMBL7462011

CCc1ccccc1NC(=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 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ITGB1 P05556 13/20 0.46
ITGA4 P13612 13/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7468351 0.90 RAB9A (0.45) KMT2AITGB1ITGA4ITGB3ITGA2B
SCHEMBL7461662 0.88 ITGB3 (0.48) ITGB3ITGA2BRAB9AALDH1A1LMNA
SCHEMBL7468370 0.86 KMT2A (0.49) KMT2AITGB1ITGA4RAB9AALDH1A1
SCHEMBL7462016 0.86 KMT2A (0.49) KMT2AITGB1ITGA4RAB9AALDH1A1
SCHEMBL6438227 0.84 ALDH1A1 (0.46) KMT2AITGB3ITGA2BRAB9AALDH1A1
SCHEMBL7469934 0.84 ITGB3 (0.49) KMT2AITGB1ITGA4ITGB3ITGA2B
SCHEMBL7466885 0.82 CTNNB1 (0.47) KMT2AITGB3ITGA2BRAB9AALDH1A1
SCHEMBL7472953 0.81 ITGB1 (0.51) ITGB1ITGA4ITGB3ITGA2BRAB9A
SCHEMBL7463407 0.81 ITGB3 (0.42) KMT2AITGB1ITGA4ITGB3ITGA2B
SCHEMBL7462096 0.81 MMP2 (0.46) ITGB3ITGA2BRAB9AALDH1A1LMNA

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