SCHEMBL6447818

SCHEMBL6447818

CC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.46
CTSK P43235 4/20 0.46
SLC15A1 P46059 1/20 0.46
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
SYK P43405 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL8038393 1.00 MAPT (0.48) MAPTXBP1NPSR1TDP1HSD17B10
SCHEMBL27556472 0.88 SLC15A1 (0.58) HSD17B10CTSKSLC15A1ALDH1A1CTSB
SCHEMBL27556474 0.88 SLC15A1 (0.58) HSD17B10CTSKSLC15A1ALDH1A1CTSB
SCHEMBL7280308 0.86 SLC15A1 (0.49) SLC15A1SYKALDH1A1
SCHEMBL28327428 0.86 SYK (0.45) MAPTXBP1NPSR1TDP1SLC15A1
SCHEMBL8399611 0.86 SLC15A1 (0.49) SLC15A1SYKALDH1A1
SCHEMBL28638619 0.86 SYK (0.45) MAPTXBP1NPSR1TDP1SLC15A1
SCHEMBL9262449 0.85 POLB (0.43) MAPTXBP1NPSR1TDP1HSD17B10
SCHEMBL6576006 0.85 HSD17B10 (0.52) HSD17B10CTSKSLC15A1ALDH1A1CTSB
SCHEMBL8219511 0.84 SYK (0.44) MAPTXBP1NPSR1TDP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
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
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 US 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
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed