SCHEMBL7473152

SCHEMBL7473152

C=CCC(CC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 5/20 0.44
CYP2D6 P10635 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PAX8 Q06710 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CTSK P43235 2/20 0.32
KMT2A Q03164 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL7473016 0.85 CYP2D6 (0.39) L3MBTL1USP2CYP2D6HDAC3HDAC1
SCHEMBL11128664 0.84 ALDH1A1 (0.43) L3MBTL1USP2CA1CA2ALDH1A1
SCHEMBL7052679 0.83 GRIK1 (0.43) L3MBTL1USP2CYP2D6HDAC3HDAC1
SCHEMBL2189972 0.83 GRIK1 (0.43) L3MBTL1USP2CYP2D6HDAC3HDAC1
SCHEMBL2189967 0.83 GRIK1 (0.43) L3MBTL1USP2CYP2D6HDAC3HDAC1
SCHEMBL15684081 0.81 L3MBTL1 (0.44) L3MBTL1USP2CYP2D6HDAC3HDAC1
SCHEMBL12220663 0.78 CA1 (0.42) CA1CA2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7275053 0.78 MEN1 (0.42) L3MBTL1CA1CA2SMN1; SMN2CA12
SCHEMBL6762851 0.78 CYP2D6 (0.41) L3MBTL1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL4838441 0.78 KMT2A (0.41) L3MBTL1CYP2D6HDAC3HDAC1HDAC2

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-0944587-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2002-03-20 EP disclosed
EP-0944587-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP disclosed
WO-1998024759-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-11 WO disclosed