SCHEMBL8983076

SCHEMBL8983076

COCCOCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 6/20 0.41
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 4/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA14 Q9ULX7 1/20 0.38
APLNR P35414 1/20 0.38
EPHX1 P07099 1/20 0.37
DGAT1 O75907 1/20 0.36
CA7 P43166 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 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
SCHEMBL25985788 0.85 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL25985952 0.85 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL21106180 0.85 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL21534023 0.85 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL5675016 0.85 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL13699507 0.85 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL10117371 0.84 TDP1 (0.50) TDP1MEN1GAAKMT2ACA2
SCHEMBL16923544 0.82 TDP1 (0.55) TDP1MEN1GAAKMT2ACA2
SCHEMBL3177993 0.82 TDP1 (0.46) TDP1MEN1GAAKMT2ACA2
SCHEMBL21233533 0.81 TDP1 (0.42) TDP1MEN1GAAKMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409164-B1 Phenacylpyridiniothiocephalosporins SHIONOGI & CO (JP) 1996-06-05 EP disclosed
EP-0416410-B1 Piperaziniocephalosporins SHIONOGI & CO (JP) 1994-11-30 EP disclosed
EP-0136721-B1 Carboxyalkenamidocephalosporins SHIONOGI & CO (JP) 1993-12-29 EP disclosed
US-5143910-A PIPERAZINIOCEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1992-09-01 US disclosed
US-5134138-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1992-07-28 US disclosed
EP-0416410-A1 Piperaziniocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-03-13 EP disclosed
EP-0409164-A2 Phenacylpyridiniothiocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-01-23 EP disclosed
US-4912224-A Containing a aminothiazolyl or aminothiadiazolyl ring SHIONOGI & CO., LTD. (JP) 1990-03-27 US disclosed
US-4748170-A Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1988-05-31 US disclosed
US-4634697-A Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1987-01-06 US disclosed
EP-0136721-A2 Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1985-04-10 EP disclosed