SCHEMBL24933912

SCHEMBL24933912

COC[C@]1(C2CC2)COC[C@@H](COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)O1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.32
HSD17B2 P37059 4/20 0.32
PARP1 P09874 1/20 0.32
FFAR1 O14842 2/20 0.31
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30

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
SCHEMBL30240752 1.00 HSD17B1 (0.32) HSD17B1HSD17B2PARP1FFAR1PRKAB2
SCHEMBL24933303 0.90 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1PRKAB2
SCHEMBL29203338 0.90 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1PRKAB2
SCHEMBL30240755 0.89 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL24933295 0.89 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL30240729 0.89 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL24933300 0.89 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL30240775 0.89 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1
SCHEMBL24933717 0.88 HSD17B1 (0.33) HSD17B1HSD17B2PARP1FFAR1PRKAB2
SCHEMBL24933914 0.88 HSD17B1 (0.32) HSD17B1HSD17B2PARP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP claimed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN claimed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO claimed
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed