SCHEMBL7740700

SCHEMBL7740700

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H]1n1c(NC(C)C)nc2cc(S(C)(=O)=O)c(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.45
GLP1R P43220 1/20 0.35
TRPV4 Q9HBA0 14/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL7117894 0.87 HDAC6 (0.48) HDAC6GLP1RTRPV4
SCHEMBL7742267 0.86 HDAC6 (0.47) HDAC6TRPV4
SCHEMBL7115119 0.86 HDAC6 (0.46) HDAC6GLP1RTRPV4
SCHEMBL7734423 0.85 HDAC6 (0.47) HDAC6GLP1RTRPV4
SCHEMBL7740607 0.83 HDAC6 (0.59) HDAC6GLP1RTRPV4
SCHEMBL7121805 0.82 HDAC6 (0.45) HDAC6TRPV4
SCHEMBL7740698 0.82 HDAC6 (0.41) HDAC6CA9CA12CA1CA2
SCHEMBL7117899 0.81 HDAC6 (0.41) HDAC6TRPV4
SCHEMBL7734297 0.81 HDAC6 (0.40) HDAC6TRPV4
SCHEMBL7114569 0.80 HDAC6 (0.40) HDAC6TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed
EP-0970100-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-12 EP disclosed
WO-1998035977-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-08-20 WO disclosed