SCHEMBL9874560

SCHEMBL9874560

CCOC(=O)C(C)(CS)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
MMP8 P22894 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL2879622 0.86 CYP4F2 (0.42) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL14218515 0.75 CYP4F2 (0.50) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL14280523 0.75 MMP8 (0.47) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL19853013 0.75 FBP1 (0.35) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL27968611 0.73 CYP4F2 (0.52) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL12330362 0.72 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL6383219 0.72 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL12831035 0.71 GAA (0.48) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL28728412 0.71 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL16751239 0.71 MMP8 (0.43) ALDH1A1LMNAHSD17B10PKMKDM4E

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-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 US disclosed