SCHEMBL7462016

SCHEMBL7462016

CCc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C(=O)O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ITGB1 P05556 7/20 0.46
ITGA4 P13612 7/20 0.46
MEN1 O00255 4/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 2/20 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
SCHEMBL7468370 1.00 KMT2A (0.49) KMT2AITGB1ITGA4MEN1MAPT
SCHEMBL7219807 0.92 ITGB1 (0.54) ITGB1ITGA4RAB9A
SCHEMBL7468356 0.90 KMT2A (0.45) KMT2AITGB1ITGA4MEN1MAPT
SCHEMBL7461667 0.88 ALDH1A1 (0.49) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7462011 0.86 KMT2A (0.47) KMT2AITGB1ITGA4MAPTALDH1A1
SCHEMBL7467442 0.86 KMT2A (0.49) KMT2AITGB1ITGA4MEN1MAPT
SCHEMBL7469939 0.84 ALDH1A1 (0.46) KMT2AITGB1ITGA4MEN1MAPT
SCHEMBL7462284 0.84 ALDH1A1 (0.46) KMT2AITGB1ITGA4MEN1MAPT
SCHEMBL7472858 0.83 ALDH1A1 (0.43) KMT2AITGB1ITGA4MEN1MAPT
SCHEMBL7472944 0.83 ALDH1A1 (0.43) KMT2AITGB1ITGA4MEN1MAPT

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