SCHEMBL5674785

SCHEMBL5674785

CN(C)c1cccc2c(S(=O)(=O)NC3(OC=O)CCCCC3)cccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
EDNRA P25101 13/20 0.51
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CA2 P00918 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
SCHEMBL5674464 0.79 EDNRA (0.45) CTSSCTSKEDNRAKMT2A
SCHEMBL5678575 0.77 CCKBR (0.41) KMT2A
Cyclopropane SCHEMBL12502165 0.74 CA2 (0.62) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL14676116 0.74 MAPT (0.44) EDNRACA2
SCHEMBL15515526 0.73 EDNRA (0.63) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL5674381 0.73 CA9 (0.42) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL5677839 0.71 ALDH1A1 (0.54) KMT2ACA2
SCHEMBL14176763 0.71 CA2 (0.61) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL8906934 0.71 CA2 (0.65) EDNRAF2PRSS1PRSS2PRSS3
SCHEMBL15225649 0.70 GAA (0.58) EDNRAF2PRSS1PRSS2PRSS3

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 10 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-1619189-B1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP disclosed
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