SCHEMBL24933331

SCHEMBL24933331

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.34
HSD17B2 P37059 6/20 0.34
FFAR1 O14842 3/20 0.33
PARP1 P09874 1/20 0.32
FFAR4 Q5NUL3 3/20 0.31
PRKAB2 O43741 2/20 0.31
PRKAG1 P54619 2/20 0.31
PRKAA2 P54646 2/20 0.31
PRKAA1 Q13131 2/20 0.31
PRKAG3 Q9UGI9 2/20 0.31
PRKAG2 Q9UGJ0 2/20 0.31
PRKAB1 Q9Y478 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FASN P49327 1/20 0.30
SCN9A Q15858 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
SCHEMBL24933746 0.90 HSD17B1 (0.34) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL30240741 0.90 HSD17B1 (0.34) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL30240724 0.90 HSD17B1 (0.34) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL24933512 0.89 FFAR1 (0.36) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL30240698 0.89 HSD17B1 (0.33) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL24933717 0.89 HSD17B1 (0.33) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL24933449 0.88 FFAR1 (0.34) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL24933509 0.88 FFAR1 (0.33) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL24933300 0.88 HSD17B1 (0.33) HSD17B1HSD17B2FFAR1PARP1FFAR4
SCHEMBL24933295 0.88 HSD17B1 (0.33) HSD17B1HSD17B2FFAR1PARP1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed