SCHEMBL7026832

SCHEMBL7026832

O=C(O)[C@@H](S)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.52
HDAC7 Q8WUI4 5/20 0.52
MMP2 P08253 4/20 0.51
MMP9 P14780 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL7021054 0.95 HDAC1 (0.58) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL9219366 0.84 MMP2 (0.55) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL7020868 0.84 CA12 (0.53) HDAC1HDAC7SMN1; SMN2MAPTRAB9A
SCHEMBL2640823 0.83 HDAC7 (0.53) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL2640824 0.83 HDAC7 (0.53) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL7080833 0.82 ALDH1A1 (0.58) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL7898753 0.81 HDAC7 (0.52) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL3359985 0.81 HDAC7 (0.52) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL11093898 0.81 HDAC1 (0.52) HDAC1HDAC7MMP2MMP9SMN1; SMN2
SCHEMBL9191639 0.81 HDAC1 (0.52) HDAC1HDAC7MMP2MMP9SMN1; SMN2

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 12 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-0944597-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP disclosed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP disclosed
WO-1998023588-A9 METALLOPROTEINASE INHIBITORS 1998-09-17 WO disclosed
WO-1998023588-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-04 WO 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