SCHEMBL7020868

SCHEMBL7020868

O=C(CCCC(S)C(=O)O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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 0.84 HDAC1 (0.52) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL7021054 0.82 HDAC1 (0.58) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL9016051 0.80 CA12 (0.66) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL29000742 0.77 CA12 (0.56) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL9322511 0.77 CA12 (0.56) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL1413232 0.77 CA12 (0.70) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL8940040 0.76 CA12 (0.73) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL27866680 0.73 CA12 (0.59) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL29602255 0.73 ALDH1A1 (0.59) CA12CA9ALDH1A1KDM4EMAPT
SCHEMBL10671594 0.73 CA12 (0.59) CA12CA9ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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