SCHEMBL8048833

SCHEMBL8048833

CC(C)CC(CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CTSK P43235 3/20 0.49
CTSB P07858 2/20 0.48
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPA3 P15088 1/20 0.47
CPB2 Q96IY4 1/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
SLC15A1 P46059 1/20 0.46

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
SCHEMBL7355706 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1CTSKCTSBCPA1
SCHEMBL27556474 0.89 SLC15A1 (0.58) HSD17B10ALDH1A1CTSKCTSBCTSS
SCHEMBL27556472 0.89 SLC15A1 (0.58) HSD17B10ALDH1A1CTSKCTSBCTSS
SCHEMBL2571746 0.87 CPA1 (0.56) ALDH1A1CPA1CPB1CPA3CPB2
SCHEMBL6576006 0.87 HSD17B10 (0.52) HSD17B10ALDH1A1CTSKCTSBCTSS
SCHEMBL8053077 0.83 HSD17B10 (0.52) HSD17B10ALDH1A1CTSKCTSBCTSS
SCHEMBL8053081 0.83 HSD17B10 (0.52) HSD17B10ALDH1A1CTSKCTSBCTSS
SCHEMBL8038393 0.83 MAPT (0.48) HSD17B10ALDH1A1CTSKCTSBSLC15A1
SCHEMBL6447818 0.83 MAPT (0.48) HSD17B10ALDH1A1CTSKCTSBSLC15A1
SCHEMBL9807076 0.82 HTR2A (0.50) ALDH1A1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124329-A AN ENZYME INHIBITOR FOR THE TREATMENT OR PROPHYLAXIS OF TISSUE BREAKDOWN, FOR EXAMPLE RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR, MULTIPLE SCLEROSIS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2000-09-26 US disclosed
EP-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 EP disclosed
US-5962529-A OSTEOPOROSIS; RHEUMATIC DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-10-05 US disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
CN-1151157-A Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 1997-06-04 CN disclosed
EP-0766664-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 EP disclosed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 WO disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 EP disclosed