SCHEMBL8035972

SCHEMBL8035972

CC(C)(C)OC(=O)NC=CN

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CTSK P43235 5/20 0.36
DGAT1 O75907 1/20 0.35
CA2 P00918 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
MIF P14174 1/20 0.34

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
SCHEMBL221182 1.00 MAPK10 (0.37) MAPK10CA1CA7CA12CA14
SCHEMBL17574717 1.00 MAPK10 (0.37) MAPK10CA1CA7CA12CA14
Hydrochloric Acid SCHEMBL2014400 0.98 MAPK10 (0.36) MAPK10CA1CA7CA12CA14
Acrylamide SCHEMBL23457730 0.89 ALDH1A1 (0.38) MAPK10CA1CA7CA12CA14
SCHEMBL15096829 0.86 MAPK10 (0.41) MAPK10CA1CA7CA12CA14
SCHEMBL12571335 0.86 MAPK10 (0.41) MAPK10CA1CA7CA12CA14
SCHEMBL8603435 0.84 CTSK (0.43) MAPK10CA1CA7CA12CA14
SCHEMBL8603431 0.84 CTSK (0.43) MAPK10CA1CA7CA12CA14
SCHEMBL8294662 0.84 CTSK (0.43) MAPK10CA1CA7CA12CA14
SCHEMBL22433833 0.80 MAPK10 (0.38) MAPK10CA1CA7CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156895-A Process for preparing 4-tert-butyloxycarbonyl-(S)-piperazine-2-tert-butylcarboxamide MERCK & CO., INC. (US) 2000-12-05 US disclosed
US-5977364-A Process for preparing 4-tert-butyloxycarbonyl-(S)-piperazine-2-tert-butylcarboxamide MERCK & CO., INC. (US) 1999-11-02 US disclosed