SCHEMBL2944250

SCHEMBL2944250

CC(=O)Nc1ccc(O)c(C2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
UCHL1 P09936 2/20 0.47
USP30 Q70CQ3 1/20 0.47
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PREP P48147 2/20 0.43
POLB P06746 1/20 0.43
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL15154729 0.81 RIPK1 (0.46) NPC1LMNANPSR1ALDH1A1
SCHEMBL2598872 0.81 RIPK1 (0.46) NPC1LMNANPSR1ALDH1A1
SCHEMBL2944251 0.81 NPC1 (0.50) NPC1UCHL1USP30RAB9ALMNA
SCHEMBL1865291 0.78 HSD11B1 (0.57) NPC1UCHL1USP30RAB9ALMNA
SCHEMBL1951112 0.78 HSD11B1 (0.57) NPC1UCHL1USP30RAB9ALMNA
SCHEMBL1951111 0.78 HSD11B1 (0.57) NPC1UCHL1USP30RAB9ALMNA
SCHEMBL1865290 0.78 HSD11B1 (0.57) NPC1UCHL1USP30RAB9ALMNA
SCHEMBL31472401 0.77 ATAD2 (0.42) NPC1UCHL1USP30RAB9ALMNA
SCHEMBL21491336 0.77 ATAD2 (0.42) NPC1UCHL1USP30RAB9ALMNA
SCHEMBL31472353 0.77 ATAD2 (0.42) NPC1UCHL1USP30RAB9ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed