SCHEMBL9738748

SCHEMBL9738748

CCOC(=O)C(OC(C)C)(OC(C)C)C(C)=O.[In]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL27551330 0.98 MMP8 (0.40) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL3698190 0.96 MMP8 (0.39) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL4541515 0.96 MMP8 (0.39) MMP8ALDH1A1LMNAHSD17B10PKM
Acetoacetic Acid SCHEMBL28846724 0.85 MMP8 (0.36) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL7138778 0.82 MGAM (0.38) MMP8PKMKDM4ETHRBHTT
SCHEMBL28020327 0.79 ALDH1A1 (0.44) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL11249956 0.79 ALDH1A1 (0.44) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL15793853 0.78 ALDH1A1 (0.42) MMP8ALDH1A1LMNAHSD17B10PKM
SCHEMBL7202326 0.77 TDP1 (0.38) MAPT
SCHEMBL16319968 0.75 MMP8 (0.38) MMP8ALDH1A1PKMMEN1KMT2A

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-5166035-A Multilayer optical recording media with a substrate, recording layer on an under layer with pigment and chelate compound OLYMPUS OPTICAL CO., LTD. (JP) 1992-11-24 US disclosed