SCHEMBL7864607

SCHEMBL7864607

CC(=O)OC[C@@H]1O[C@H](n2c(NC(C)CF)nc3cc(Cl)c(Cl)cc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC15A1 P46059 1/20 0.39
PRKCA P17252 1/20 0.37
AKT1 P31749 1/20 0.37
PTK2 Q05397 1/20 0.37
GALR3 O60755 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 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
SCHEMBL7864610 1.00 HDAC6 (0.48) HDAC6ALDH1A1MAPTLMNATP53
SCHEMBL1764578 0.91 HDAC6 (0.58) HDAC6ALDH1A1MAPTLMNATP53
SCHEMBL27241012 0.91 HDAC6 (0.58) HDAC6ALDH1A1MAPTLMNATP53
SCHEMBL1764581 0.91 HDAC6 (0.58) HDAC6ALDH1A1MAPTLMNATP53
Hydrochloric Acid SCHEMBL27241013 0.91 HDAC6 (0.57) HDAC6ALDH1A1MAPTLMNATP53
Hydrochloric Acid SCHEMBL31273762 0.91 HDAC6 (0.57) HDAC6ALDH1A1MAPTLMNATP53
SCHEMBL7871851 0.86 LMNA (0.47) HDAC6ALDH1A1MAPTLMNATP53
SCHEMBL7871847 0.86 LMNA (0.47) HDAC6ALDH1A1MAPTLMNATP53
SCHEMBL7812613 0.84 LMNA (0.46) HDAC6ALDH1A1MAPTLMNATP53
SCHEMBL7812617 0.84 LMNA (0.46) HDAC6ALDH1A1MAPTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307043-B1 FOR TREATMENT OR PROPHYLAXIS OF HERPES VIRAL INFECTIONS GLAXO WELLCOME INC. 2001-10-23 US disclosed
US-6077832-A FOR THERAPY AND PROPHYLAXIS OF HERPES VIRUS INFECTION GLAXO WELLCOME INC. (US) 2000-06-20 US disclosed
EP-0769017-B1 THERAPEUTIC COMPOUNDS WELLCOME FOUND (GB) 2000-05-24 EP disclosed
US-5998605-A Antiviral benzimidazole nucleoside analogues and method for their preparation GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed