SCHEMBL8092527

SCHEMBL8092527

CCn1cc(O)c(=O)cc1CO

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
COMT P21964 9/20 0.54
TYR P14679 3/20 0.50
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.36
DAO P14920 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
SCHEMBL4565634 0.84 TYR (0.49) COMTTYR
SCHEMBL7931821 0.77 COMT (0.56) COMTTYRKDM4EDAO
SCHEMBL4581313 0.75 COMT (0.55) COMTTYRKDM4EDAO
SCHEMBL9353838 0.75 COMT (0.54) COMTTYRKDM4EDAO
SCHEMBL2115662 0.71 TYR (0.47) COMTTYR
SCHEMBL30887747 0.71 NOTUM (0.30)
SCHEMBL2606805 0.70 TYR (0.46) COMTTYRHDAC4HDAC2HDAC8
SCHEMBL11926716 0.69 TYR (0.49) COMTTYR
SCHEMBL11925263 0.69 TYR (0.44) COMTTYR
SCHEMBL6901220 0.69 COMT (1.00) COMTTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36831-E TREATMENT OF IRON DEFICIENCY ANEMIA BRITISH TECHNOLOGY GROUP LTD. (GB) 2000-08-22 US disclosed
US-RE35948-E TREATING TOXIC METAL CONCENTRATION BY ADMINISTERING N-SUBSTITUTED 3-HYDROXYPYRID-2-ONE OR 3-HYDROXYPYRID-4-ONE BRITISH TECHNOLOGY GROUP LTD. (GB) 1998-11-03 US disclosed
EP-0305646-B1 3-Hydroxypyrid-4-ones and pharmaceutical compositions BRITISH TECH GROUP (GB) 1996-11-13 EP disclosed
EP-0305646-A2 3-Hydroxypyrid-4-ones and pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1989-03-08 EP disclosed
EP-0120670-B1 IRON III COMPLEXES OF HYDROXYPYRIDONES, AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-12-21 EP disclosed
US-4650793-A NITROGEN-SUBSTITUTED NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1987-03-17 US disclosed
US-4585780-A CHELATION OF HEAVY METALS IN BLOOD NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-04-29 US disclosed
EP-0120669-A2 Hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed
EP-0120670-A1 Iron III complexes of hydroxypyridones, and their pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-03 EP disclosed