SCHEMBL6945658

SCHEMBL6945658

COC(=O)CC(OCCC(C)C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
CYP19A1 P11511 1/20 0.34
PKM P14618 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
TSHR P16473 3/20 0.32
EPHX2 P34913 1/20 0.32
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30

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
SCHEMBL6950518 0.86 MMP1 (0.34) TDP1CYP19A1ALDH1A1GAAKDM4E
SCHEMBL7905791 0.81 MME (0.36) TDP1CYP19A1PKMALDH1A1GAA
SCHEMBL10012251 0.77 MGAM (0.39) TDP1ALDH1A1GAAKMT2AHSD17B10
SCHEMBL11847482 0.77 TSHR (0.37) ALDH1A1GAAKMT2AHSD17B10CA1
SCHEMBL2548479 0.75 TDP1 (0.33) TDP1CYP19A1PKMALDH1A1GAA
SCHEMBL2648364 0.74 TSHR (0.42) GAAKDM4EKMT2AHSD17B10CA1
SCHEMBL5507844 0.74 TSHR (0.42) GAAKDM4EKMT2AHSD17B10CA1
SCHEMBL14639582 0.73 TSHR (0.37) GAAKMT2AHSD17B10CA1CA2
SCHEMBL17578508 0.71 ALDH1A1 (0.37) TDP1ALDH1A1GAAKMT2AHSD17B10
SCHEMBL1691926 0.71 ALDH1A1 (0.30) ALDH1A1HSD17B10

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-1030842-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-04-02 EP disclosed
EP-0835240-B1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-11-02 EP disclosed
EP-1030842-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-30 EP disclosed
EP-0821668-B1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR BRITISH BIOTECH PHARM (GB) 2000-08-23 EP disclosed
US-5919940-A TERT-LEUCINE-THIAZOL-2-YLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-07-06 US disclosed
US-5917090-A INHIBIT TUMOR NECROSIS FACTOR; ANTIARTHRITIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-06-29 US disclosed
US-5908851-A TUMOR NECROSIS FACTOR, COLLAGENASE, STROMELYSIN, AND GELATINASE INHIBITORS; OSTEOPOROSIS, RHEUMATIC AND ORAL DISEASES; ANTIARTHRITIC AND ANTIULCER AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-01 US disclosed
WO-1999025693-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-05-27 WO disclosed
US-5859253-A L-TERT-LEUCINE-2-PYRIDYLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-12 US disclosed
US-5747514-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-05 US disclosed
EP-0835240-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-15 EP disclosed
EP-0821668-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-02-04 EP disclosed
WO-1997003966-A1 N-(AMINO ACID) SUBSTITUTED SUCCINIC ACID AMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO disclosed
WO-1997002239-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-01-23 WO disclosed
WO-1996033165-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-10-24 WO disclosed