SCHEMBL9874568

SCHEMBL9874568

CCOC(=O)C(C)(C)SCC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.37
MMP8 P22894 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1620624 0.81 CYP4F2 (0.41) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL4293341 0.78 CYP4F2 (0.39) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL469311 0.75 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL4080954 0.74 CYP4F2 (0.42) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL14852648 0.73 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL14852645 0.73 CYP1A2 (0.41) ALDH1A1LMNAPKMKDM4ECYP4F2
SCHEMBL4290498 0.73 PKM (0.38) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL1620832 0.72 CYP4F2 (0.41) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL18113066 0.72 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL2184218 0.72 CYP4F2 (0.39) 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