SCHEMBL6654150

SCHEMBL6654150

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSK P43235 3/20 0.46
SLC15A1 P46059 1/20 0.46
LMNA P02545 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
ATM Q13315 1/20 0.44
MMP9 P14780 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL29873185 0.91 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15514314 0.87 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15514443 0.84 SLC15A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL4915829 0.84 ALDH1A1 (0.45) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7331100 0.83 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23542520 0.83 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL6851044 0.83 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL111390 0.82 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23937568 0.82 SLC15A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23937684 0.82 SLC15A1 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832875-B1 HIGHLY WATER-SOLUBLE METALLOPROTEINASE INHIBITOR DAIICHI FINE CHEM CO LTD (JP) 2004-06-30 EP disclosed
US-6284914-B1 HYDROXAMIC ACID DERIVATIVES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-09-04 US disclosed
US-6147114-A HYDROXAMIC ACID DERIVATIVES FROM TUMOR NECROSIS FACTOR CONVERTING ENZYME FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-11-14 US disclosed
EP-0832875-A1 HIGHLY WATER-SOLUBLE METALLOPROTEINASE INHIBITOR FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1998-04-01 EP disclosed
US-5629285-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-05-13 US disclosed
US-5616605-A Peptide derivatives of collagenase inhibitor RESEARCH CORPORATION TECH., INC. (US) 1997-04-01 US disclosed
EP-0715619-A4 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORP (US) 1997-03-19 EP disclosed
US-5594106-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-01-14 US disclosed
EP-0715619-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1996-06-12 EP disclosed
WO-1995006031-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1995-03-02 WO disclosed
EP-0214639-B1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS G.D. Searle & Co. (US) 1990-06-13 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed
EP-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP disclosed
US-4743587-A ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1988-05-10 US disclosed
EP-0214639-A2 Hydroxamic acid based collagenase inhibitors G.D. Searle & Co. (US) 1987-03-18 EP disclosed
US-4599361-A ANTIARTHRITIC G. D. SEARLE & CO. (US) 1986-07-08 US disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 US disclosed
US-4511504-A COLLAGENASE INHIBITORS G.D. SEARLE & CO. (US) 1985-04-16 US disclosed
EP-0126974-A1 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1984-12-05 EP disclosed