SCHEMBL8106675

SCHEMBL8106675

O=C(O)C(N1C(=O)CCC1=O)n1cccc(OCc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
MAPK14 Q16539 5/20 0.41
MAPK1 P28482 1/20 0.40
SLC1A2 P43004 1/20 0.38
BRD4 O60885 1/20 0.38
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37
SGMS2 Q8NHU3 2/20 0.37
PTGER1 P34995 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
FOLH1 Q04609 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
SCHEMBL6532746 0.75 MAPK14 (0.49) MAPK14MAPK1ALPGPTK2B
SCHEMBL23969873 0.71 MAPK14 (0.43) ALDH1A1MAPK14MAPK1BRD4PTGER1
SCHEMBL620077 0.71 MAPK14 (0.41) ALDH1A1MAPK14MAPK1BRD4ALPG
SCHEMBL8100824 0.69 MAPK14 (0.49) ALDH1A1MAPK14MAPK1BRD4ALPG
SCHEMBL9797696 0.68 ALDH1A1 (0.56) ALDH1A1PKMMAPK1SLC1A2MEN1
SCHEMBL11970494 0.68 MAPK14 (0.52) ALDH1A1PKMMAPK14MAPK1BRD4
SCHEMBL20382952 0.67 MAPK14 (0.47) MAPK14BRD4ALPGPTK2BPTGER1
SCHEMBL20382946 0.67 MAPK14 (0.49) MAPK14MAPK1BRD4ALPGPTK2B
SCHEMBL271730 0.67 MAPK14 (0.68) ALDH1A1MAPK14MAPK1BRD4HTT
SCHEMBL11316406 0.65 ALDH1A1 (0.49) ALDH1A1PKMMAPK1SLC1A2MEN1

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 10 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
EP-1006112-A1 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers Cerebrus Pharmaceuticals Limited (GB) 2000-06-07 EP disclosed
EP-1006108-A1 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers Cerebrus Pharmaceuticals Limited (GB) 2000-06-07 EP 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-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