SCHEMBL23331817

SCHEMBL23331817

CC(C)C1CCCN1CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.43
PLA2G5 P39877 1/20 0.43
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A9 P48067 1/20 0.34
HPGD P15428 1/20 0.33
RAB9A P51151 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
SCHEMBL9892347 0.85 HRH3 (0.39) PLA2G10PLA2G5ALDH1A1MEN1KMT2A
SCHEMBL13416600 0.83 HRH3 (0.39) ALDH1A1MEN1KMT2AHRH3L3MBTL1
SCHEMBL16480466 0.80 HRH3 (0.48) ALDH1A1MEN1KMT2AHRH3L3MBTL1
SCHEMBL19060492 0.80 HRH3 (0.48) ALDH1A1MEN1KMT2AHRH3L3MBTL1
SCHEMBL28162729 0.78 HRH3 (0.37) PLA2G10PLA2G5ALDH1A1MEN1KMT2A
SCHEMBL9891876 0.78 HRH3 (0.37) PLA2G10PLA2G5ALDH1A1MEN1KMT2A
SCHEMBL4596269 0.78 LMNA (0.44) ALDH1A1
SCHEMBL4596099 0.78 LMNA (0.44) ALDH1A1
SCHEMBL13416611 0.77 ACE (0.38) MAPTL3MBTL1SLC6A9RAB9A
SCHEMBL23774566 0.77 ACE (0.38) MAPTL3MBTL1SLC6A9RAB9A

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-2021086044-A1 NOVEL COMPOUND FOR CROP PROTECTANT 주식회사 엘지화학 2021-05-06 WO disclosed