SCHEMBL12463596

SCHEMBL12463596

CCCCN(CC(=O)O)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CA14 Q9ULX7 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSK P43235 8/20 0.38
CTSS P25774 3/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CA9 Q16790 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 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
SCHEMBL8140139 0.92 CA12 (0.43) MEN1KMT2AGAACA14CA12
SCHEMBL31201814 0.84 TDP1 (0.44) MEN1KMT2AGAACA14CA12
SCHEMBL3757130 0.84 TDP1 (0.44) MEN1KMT2AGAACA14CA12
SCHEMBL31041082 0.81 MEN1 (0.39) MEN1KMT2AGAACA14CA12
SCHEMBL9017483 0.80 CA12 (0.42) MEN1KMT2AGAACA14CA12
SCHEMBL14176776 0.80 MEN1 (0.41) MEN1KMT2AGAACA14CA12
SCHEMBL23801581 0.79 CA12 (0.42) MEN1KMT2AGAACA14CA12
SCHEMBL8140143 0.79 MAOA (0.43) MEN1KMT2AGAACA14CA12
SCHEMBL4798674 0.78 EPHX2 (0.42) TDP1
SCHEMBL4677852 0.77 CA14 (0.44) GAACA14CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2340830-A2 Hepatitis C Virus Inhibitors Bristol-Myers Squibb Company (US) 2011-07-06 EP disclosed