SCHEMBL30992123

SCHEMBL30992123

CC(=O)CCCCC(CCS(=O)(=O)c1ccccc1)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 5/20 0.41

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
SCHEMBL9374645 0.77 HDAC1 (0.67) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL1232793 0.77 HDAC1 (0.57) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL30992152 0.75 HSD11B1 (0.54) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL29324634 0.74 PSIP1 (0.47) MAPTKMT2ALMNAMEN1GAA
SCHEMBL14012720 0.74 MAPT (0.48) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL6915414 0.74 ALDH1A1 (0.66) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL30992139 0.72 PLA2G2C (0.45) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL31695299 0.71 PRKCA (0.47) MAPTALDH1A1LMNA
SCHEMBL14362748 0.70 HSD11B1 (0.50) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL11995514 0.70 PRKCA (0.54) MAPTALDH1A1LMNA

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-118373842-A Alpha/beta-functionalized alkylsilane-based peroxide, method for free radical conversion under Fe catalysis and application thereof 广东工业大学 2024-07-23 CN disclosed