SCHEMBL24933652

SCHEMBL24933652

CC1(C)CC[C@@H](COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.36
HSD17B1 P14061 6/20 0.36
HSD17B2 P37059 6/20 0.36
PARP1 P09874 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MGAT2 Q10469 1/20 0.33
PARP10 Q53GL7 3/20 0.33
PARP15 Q460N3 2/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
FFAR1 O14842 1/20 0.32
GRM2 Q14416 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL29203333 1.00 FFAR4 (0.36) FFAR4HSD17B1HSD17B2PARP1PRKAB2
SCHEMBL24933840 0.85 PRKAB2 (0.46) FFAR4HSD17B1HSD17B2PARP1PRKAB2
SCHEMBL24933271 0.85 AOC2 (0.38) FFAR4HSD17B1HSD17B2PARP1PRKAB2
SCHEMBL24933581 0.84 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24933717 0.83 HSD17B1 (0.33) FFAR4HSD17B1HSD17B2PARP1PRKAB2
SCHEMBL24933061 0.83 PARP1 (0.35) FFAR4HSD17B1HSD17B2PARP1PRKAB2
SCHEMBL24933477 0.83 PARP1 (0.35) FFAR4HSD17B1HSD17B2PARP1PRKAB2
SCHEMBL24933880 0.83 PARP1 (0.35) FFAR4HSD17B1HSD17B2PARP1PRKAB2
SCHEMBL24933746 0.83 HSD17B1 (0.34) FFAR4HSD17B1HSD17B2PARP1PRKAB2
SCHEMBL30240741 0.83 HSD17B1 (0.34) FFAR4HSD17B1HSD17B2PARP1PRKAB2

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