SCHEMBL5674362

SCHEMBL5674362

COc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MMP1 P03956 8/20 0.55
MMP13 P45452 8/20 0.55
MMP2 P08253 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
ADAM17 P78536 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
SLC1A3 P43003 1/20 0.45

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
SCHEMBL6964392 0.99 MMP1 (0.56) USP2HTTSMN1; SMN2MMP1MMP13
SCHEMBL643982 0.89 MMP1 (0.55) USP2HTTSMN1; SMN2MMP1MMP13
SCHEMBL6960331 0.86 MMP1 (0.72) MMP1MMP13MMP2CA1CA2
SCHEMBL7066448 0.85 MMP13 (0.62) USP2HTTSMN1; SMN2MMP1MMP13
SCHEMBL6962839 0.85 MMP1 (0.74) MMP1MMP13MMP2CA1CA2
SCHEMBL7065804 0.84 SMN1; SMN2 (0.60) USP2HTTSMN1; SMN2MMP1MMP13
SCHEMBL7251813 0.83 MMP13 (0.55) MMP1MMP13MMP2CA1CA2
SCHEMBL5675304 0.82 USP2 (0.60) USP2HTTSMN1; SMN2MMP1MMP13
SCHEMBL7410002 0.81 MMP13 (0.48) USP2MMP1MMP13MMP2MMP9
SCHEMBL7064268 0.81 HTT (0.60) USP2HTTSMN1; SMN2MMP1MMP13

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 12 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-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-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