SCHEMBL9743564

SCHEMBL9743564

CCC(CC(=O)OC(C)(C)C)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HRH1 P35367 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKCA P17252 2/20 0.34
TSHR P16473 1/20 0.32
SLC18A3 Q16572 1/20 0.32
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL9743639 0.85 MEN1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10330871 0.83 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9744611 0.82 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15880000 0.80 PRKCA (0.44) LMNAPRKCA
SCHEMBL15879999 0.80 PRKCA (0.44) LMNAPRKCA
Hydrochloric Acid SCHEMBL10491919 0.80 LMNA (0.63) CYP2D6MEN1CYP1A2HRH1KMT2A
SCHEMBL9743287 0.80 MAPK1 (0.47) CYP2D6MEN1CYP1A2KMT2ALMNA
SCHEMBL9743514 0.79 MGAM (0.39) MEN1CYP1A2HRH1KMT2ALMNA
SCHEMBL9743364 0.78 MAPK1 (0.54) CYP2D6MEN1CYP1A2KMT2ALMNA
SCHEMBL9745613 0.78 MAPK1 (0.54) CYP2D6MEN1CYP1A2KMT2ALMNA

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
US-5128252-A Resolution of optically active esters, transesterification, lipase CHISSO CORPORATION (JP) 1992-07-07 US disclosed