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SCHEMBL7468356

SCHEMBL7468356

CC(=O)Oc1ccccc1NC(=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 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ITGB1 P05556 9/20 0.44
▸ ITGA4 P13612 9/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7219807 0.90 ITGB1 (0.54) RAB9AITGB1ITGA4
SCHEMBL7468370 0.90 KMT2A (0.49) KMT2AMEN1RAB9AITGB1ITGA4
SCHEMBL7462016 0.90 KMT2A (0.49) KMT2AMEN1RAB9AITGB1ITGA4
SCHEMBL7467442 0.88 KMT2A (0.49) KMT2AMEN1ITGB1ITGA4ALDH1A1
SCHEMBL7468351 0.87 RAB9A (0.45) KMT2AMEN1RAB9AITGB1ITGA4
SCHEMBL7461667 0.85 ALDH1A1 (0.49) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL7213313 0.84 ITGB1 (0.52) KMT2ARAB9AITGB1ITGA4
SCHEMBL7472858 0.82 ALDH1A1 (0.43) KMT2AMEN1RAB9AITGB1ITGA4
SCHEMBL7472944 0.82 ALDH1A1 (0.43) KMT2AMEN1RAB9AITGB1ITGA4
SCHEMBL7462284 0.81 ALDH1A1 (0.46) KMT2AMEN1RAB9AITGB1ITGA4

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