SCHEMBL6609512

SCHEMBL6609512

COC[CH]NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 3/20 0.39
CA7 P43166 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
CTSK P43235 3/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK10 P53779 1/20 0.36
APLNR P35414 1/20 0.35
BTK Q06187 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL166623 0.81 CA1 (0.42) CA12CA14CA2CA1CA7
SCHEMBL6612741 0.79 TDP1 (0.44) CA12CA14CA2CA1CA7
SCHEMBL10435327 0.78 TDP1 (0.39) CA12CA14CA2CA1CA7
SCHEMBL4018044 0.76 MEN1 (0.40) CA12CA14CA2CA1CA7
SCHEMBL166206 0.76 CA1 (0.42) CA12CA14CA2CA1CA7
SCHEMBL738693 0.74 CA1 (0.43) CA12CA14CA2CA1CA7
SCHEMBL12571335 0.73 MAPK10 (0.41) CA12CA14CA2CA1CA7
SCHEMBL15096829 0.73 MAPK10 (0.41) CA12CA14CA2CA1CA7
SCHEMBL6610088 0.73 CTSK (0.38) CA12CA14CA2CA1CA7
SCHEMBL6610938 0.73 CTSK (0.38) CA12CA14CA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed