SCHEMBL28958600

SCHEMBL28958600

CC(C)(C)OC(=O)CC1CCC(CN)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
NR1H2 P55055 1/20 0.36
LIPA P38571 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP2D6 P10635 1/20 0.33
NCF1 P14598 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
MIF P14174 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13668662 1.00 PLG (0.42) PLGPLATLMNANR1H2LIPA
SCHEMBL1932287 0.90 NR1H2 (0.41) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL8485377 0.85 NR1H2 (0.36) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL8485380 0.85 NR1H2 (0.36) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL14690919 0.85 PLG (0.45) PLGPLATLMNANR1H2CTSS
Methyl Alcohol SCHEMBL27474414 0.84 NR1H2 (0.35) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL24571070 0.83 NR1H2 (0.40) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL1001604 0.83 NR1H2 (0.37) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL5792776 0.83 NR1H2 (0.47) NR1H2LIPACTSSCTSKKMT2A
SCHEMBL8714823 0.83 CHRM2 (0.40) NR1H2LIPACTSSCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 CN disclosed
CN-115304606-A Degradation agent for simultaneously targeting BTK and GSPT1 proteins 清华大学 2022-11-08 CN disclosed