SCHEMBL7551243

SCHEMBL7551243

CC(=O)Oc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
NAMPT P43490 2/20 0.49
GAA P10253 1/20 0.49
HDAC1 Q13547 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FAAH O00519 2/20 0.46
ELANE P08246 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4A O75164 1/20 0.43

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
SCHEMBL3180689 0.87 L3MBTL1 (0.61) L3MBTL1NAMPTGAAHDAC1CA1
SCHEMBL28619767 0.87 HDAC1 (0.50) L3MBTL1NAMPTGAAHDAC1NPC1
SCHEMBL27420133 0.87 GAA (0.51) L3MBTL1NAMPTGAAHDAC1NPC1
SCHEMBL8139001 0.85 L3MBTL1 (0.49) L3MBTL1NAMPTGAAHDAC1NPC1
SCHEMBL11687632 0.85 NPC1 (0.56) NAMPTGAANPC1RAB9ACA1
SCHEMBL11957489 0.84 L3MBTL1 (0.53) L3MBTL1NAMPTGAAHDAC1NPC1
SCHEMBL7652554 0.84 NPC1 (0.58) L3MBTL1NAMPTGAAHDAC1NPC1
SCHEMBL16192946 0.84 NPC1 (0.58) L3MBTL1NAMPTGAAHDAC1NPC1
SCHEMBL17637647 0.84 L3MBTL1 (0.48) L3MBTL1NAMPTGAAHDAC1NPC1
SCHEMBL16192926 0.84 L3MBTL1 (0.48) L3MBTL1NAMPTGAAHDAC1NPC1

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
WO-2001027096-A1 AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS TULARIK LIMITED (GB) 2001-04-19 WO disclosed