SCHEMBL7467442

SCHEMBL7467442

COc1cc(CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C(=O)O)c2ccc3c(c2)OCO3)ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ITGB1 P05556 4/20 0.46
ITGA4 P13612 4/20 0.46
CTSD P07339 2/20 0.41
MEN1 O00255 2/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7213313 0.93 ITGB1 (0.52) KMT2AITGB1ITGA4CTSDNPC1
SCHEMBL7467339 0.90 KMT2A (0.45) KMT2AITGB1ITGA4CTSDMEN1
SCHEMBL7461109 0.90 KMT2A (0.45) KMT2AITGB1ITGA4CTSDMEN1
SCHEMBL7460940 0.89 ITGB1 (0.50) ITGB1ITGA4CTSDCTSKALDH1A1
SCHEMBL7471442 0.89 ITGB1 (0.50) ITGB1ITGA4CTSDCTSKALDH1A1
SCHEMBL7468356 0.88 KMT2A (0.45) KMT2AITGB1ITGA4MEN1ALDH1A1
SCHEMBL7462016 0.86 KMT2A (0.49) KMT2AITGB1ITGA4MEN1ALDH1A1
SCHEMBL7468370 0.86 KMT2A (0.49) KMT2AITGB1ITGA4MEN1ALDH1A1
SCHEMBL7219807 0.86 ITGB1 (0.54) ITGB1ITGA4NPC1
SCHEMBL7461667 0.84 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1HPGDLMNA

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