SCHEMBL29650185

SCHEMBL29650185

CC(O)COc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
PRMT5 O14744 3/20 0.47
WDR77 Q9BQA1 2/20 0.47
KAT6A Q92794 1/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL19692903 1.00 LMNA (0.54) LMNAPRMT5WDR77KAT6ATSHR
SCHEMBL28469591 0.86 PRMT5 (0.47) LMNAPRMT5WDR77KAT6ATSHR
SCHEMBL21353039 0.86 PRMT5 (0.47) LMNAPRMT5WDR77KAT6ATSHR
SCHEMBL29933794 0.81 LMNA (0.47) LMNAPRMT5WDR77KAT6ATSHR
SCHEMBL1241813 0.81 LMNA (0.73) LMNATSHRMAPK1HIF1AMTNR1A
SCHEMBL29813063 0.80 LMNA (0.56) LMNAADRB2ADRB1
SCHEMBL28737943 0.79 CYP1A2 (0.52) LMNAPRMT5WDR77KAT6ATSHR
SCHEMBL28737942 0.79 CYP1A2 (0.52) LMNAPRMT5WDR77KAT6ATSHR
SCHEMBL29934037 0.79 LMNA (0.45) LMNAKAT6ATSHRMAPK1HIF1A
SCHEMBL28738065 0.79 CYP1A2 (0.52) LMNAPRMT5WDR77KAT6ATSHR

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
CN-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 CN disclosed