SCHEMBL5594018

SCHEMBL5594018

COC(=O)CCS(=O)(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.45
CA12 O43570 10/20 0.45
CA14 Q9ULX7 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 12/20 0.40
CA9 Q16790 7/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EPHX1 P07099 1/20 0.38
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL1455954 0.82 TDP1 (0.57) CA2CA12CA14TDP1MEN1
SCHEMBL5209649 0.82 TDP1 (0.51) CA2CA12CA14TDP1MEN1
SCHEMBL1256643 0.81 TDP1 (0.55) CA2CA12CA14TDP1MEN1
SCHEMBL22015366 0.81 TDP1 (0.47) CA2CA12CA14TDP1MEN1
SCHEMBL22015320 0.81 TDP1 (0.47) CA2CA12CA14TDP1MEN1
Hydrochloric Acid SCHEMBL30168325 0.80 TDP1 (0.53) CA2CA12CA14TDP1MEN1
SCHEMBL3422201 0.78 TDP1 (0.61) CA2CA12CA14TDP1MEN1
SCHEMBL21963755 0.78 MEN1 (0.49) CA2CA12CA14TDP1MEN1
SCHEMBL15373104 0.77 TDP1 (0.64) CA2CA12TDP1MEN1GAA
SCHEMBL5213233 0.76 TDP1 (0.53) CA2CA12CA14TDP1MEN1

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
WO-2007113575-A2 REAGENTS AND METHODS FOR CROSS-LINKING BIOLOGICAL MOLECULES THE UNIVERSITY OF BATH (GB) 2007-10-11 WO disclosed
WO-2007113575-A2 REAGENTS AND METHODS FOR CROSS-LINKING BIOLOGICAL MOLECULES THE UNIVERSITY OF BATH (GB) 2007-10-11 WO disclosed