SCHEMBL5675309

SCHEMBL5675309

O=COC1(NS(=O)(=O)c2ccccc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP1 P03956 2/20 0.38
MMP13 P45452 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
IL1RN P18510 1/20 0.37
KEAP1 Q14145 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL5674193 0.83 SLC40A1 (0.40) KMT2AMMP1MMP13KEAP1LMNA
SCHEMBL5674853 0.82 ALDH1A1 (0.47) GAAMMP1MMP13CA1CA2
SCHEMBL5674381 0.81 CA9 (0.42) MEN1KMT2AMMP1MMP13CA2
SCHEMBL5674732 0.81 CA2 (0.45) GAAMEN1KMT2AMMP1MMP13
SCHEMBL14676116 0.80 MAPT (0.44) CA1CA2
SCHEMBL5674506 0.78 CA1 (0.50) GAAKMT2AMMP1MMP13CA1
SCHEMBL6439295 0.75 GAA (0.48) GAAMCOLN3MEN1KMT2AMMP1
SCHEMBL10889524 0.75 GAA (0.48) GAAMCOLN3MEN1KMT2AMMP1
SCHEMBL7497779 0.75 ALDH1A1 (0.43) GAAMCOLN3MEN1KMT2AKEAP1
SCHEMBL11846809 0.73 GAA (0.47) GAAMCOLN3MEN1KMT2AMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP claimed
EP-1616859-A1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU CORPORATION (JP) 2006-01-18 EP claimed
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP disclosed
EP-1008592-B1 Cyclic amide derivatives which inhibit cathepsin K SEIKAGAKU KOGYO CO LTD (JP) 2006-02-01 EP disclosed
EP-1619189-A1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU CORPORATION (JP) 2006-01-25 EP disclosed
EP-1616867-A1 Hydroxycarboxylic acid derivatives SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
EP-1616859-A1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
US-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 US disclosed
EP-1008592-A2 Cyclic amide derivatives which inhibit cathepsin K Fujirebio Kabushiki Kaisha (JP) 2000-06-14 EP disclosed