SCHEMBL26214909

SCHEMBL26214909

CC1(C)CC(OCc2ccc(C3CCC3)cc2)CC(C)(C)N1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 1/20 0.36
SLC18A3 Q16572 2/20 0.36
ESR2 Q92731 8/20 0.35
ESR1 P03372 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NAAA Q02083 2/20 0.35
ASAH1 Q13510 1/20 0.34

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
SCHEMBL7478962 0.87 GAA (0.44) CARM1PRMT6GAAHTTHRH3
SCHEMBL24850108 0.80 GAA (0.40) CARM1PRMT6GAAHTTHRH3
SCHEMBL562023 0.80 GAA (0.48) CARM1PRMT6GAAHTTHRH3
Hydrochloric Acid SCHEMBL4438215 0.79 GAA (0.50) CARM1PRMT6GAAHTTHRH3
SCHEMBL17075344 0.77 GAA (0.38) CARM1PRMT6GAAHTTNAAA
SCHEMBL24850107 0.75 GAA (0.36) GAAHTTNAAA
SCHEMBL1639896 0.73 CARM1 (0.41) CARM1PRMT6NAAA
SCHEMBL26154142 0.72 CARM1 (0.55) CARM1PRMT6HRH3NAAA
SCHEMBL20128398 0.70 GPR119 (0.35) GAAHTTESR2
SCHEMBL22154463 0.70 GAA (0.33) GAAHTT

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-2023164848-A1 CATALYST LOADED WITH TEMPO COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 凯莱英生命科学技术(天津)有限公司 2023-09-07 WO disclosed