SCHEMBL8007720

SCHEMBL8007720

CCC[C@@H](C)C(CC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ALDH1A1 P00352 3/20 0.34
PKM P14618 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL8013777 1.00 MMP8 (0.39) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL8013697 1.00 MMP8 (0.39) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL7640868 0.91 MMP8 (0.36) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL8007259 0.91 MMP8 (0.36) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL27995201 0.84 MMP8 (0.41) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL11678264 0.81 MMP8 (0.34) MMP8MEN1KMT2APKMKDM4E
SCHEMBL28363841 0.79 MMP8 (0.43) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL23906718 0.79 MMP8 (0.41) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL4314357 0.78 MMP8 (0.43) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL6067646 0.78 MMP8 (0.43) MMP8MEN1KMT2ACYP4F2CYP4A11

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-2000024358-A2 SYNTHESIS AND USES OF THIOPENTONE ENANTIOMERS THE UNIVERSITY OF SYDNEY (AU) 2000-05-04 WO disclosed