SCHEMBL7021054

SCHEMBL7021054

O=C(O)[C@@H](S)CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.58
HDAC7 Q8WUI4 6/20 0.58
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL7026832 0.95 HDAC1 (0.52) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL11686163 0.83 HDAC1 (0.59) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL7020868 0.82 CA12 (0.53) HDAC1HDAC7SMN1; SMN2HPGDKDM4E
SCHEMBL6510657 0.82 HDAC1 (0.58) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL6966437 0.82 HDAC1 (0.58) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL11481918 0.82 HDAC1 (0.58) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL24130616 0.81 ALDH1A1 (0.64) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL21851961 0.81 ALDH1A1 (0.64) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL21316650 0.81 HDAC1 (0.56) HDAC1HDAC7TDP1L3MBTL1HDAC8
SCHEMBL10667117 0.81 HDAC1 (0.56) HDAC1HDAC7TDP1L3MBTL1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP claimed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP disclosed
US-6103739-A BONE RESORPTION; ANTIINFLAMMATORY AGENTS, SKIN DISORDERS; ANTITUMOR-CARCINOGENIC AND METASTASES AGENTS; ANGIOGENESIS INHIBITORS; ANTIARRITHIC AGENTS; RHEUMATOID DISEASES; OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS AND CORNEAL ULCERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-15 US disclosed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP disclosed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO disclosed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO disclosed