SCHEMBL7464392

SCHEMBL7464392

COc1c(NC(=O)Nc2ccccc2C)ccnc1CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PTGFR P43088 2/20 0.40
ANPEP P15144 1/20 0.38
ITGB1 P05556 7/20 0.38
ITGA4 P13612 7/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL7459141 1.00 NPC1 (0.41) NPC1RAB9APTGFRANPEPITGB1
SCHEMBL7464096 0.85 NPC1 (0.43) NPC1RAB9APTGFRANPEPITGB1
SCHEMBL7462350 0.85 NPC1 (0.43) NPC1RAB9APTGFRANPEPITGB1
SCHEMBL7213313 0.84 ITGB1 (0.52) NPC1RAB9AITGB1ITGA4KMT2A
SCHEMBL7219807 0.83 ITGB1 (0.54) NPC1RAB9AITGB1ITGA4
SCHEMBL7467442 0.77 KMT2A (0.49) NPC1ITGB1ITGA4KMT2AALDH1A1
SCHEMBL7462016 0.76 KMT2A (0.49) RAB9AITGB1ITGA4KMT2AALDH1A1
SCHEMBL7468370 0.76 KMT2A (0.49) RAB9AITGB1ITGA4KMT2AALDH1A1
SCHEMBL7468356 0.75 KMT2A (0.45) RAB9AITGB1ITGA4KMT2AALDH1A1
SCHEMBL7467419 0.74 NPC1 (0.49) NPC1RAB9AITGB1ITGA4KMT2A

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