SCHEMBL29138432

SCHEMBL29138432

COC(=O)C(C)=C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 3/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CHRM1 P11229 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
GRIK1 P39086 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DPP7 Q9UHL4 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL29138431 0.98 ALDH1A1 (0.39) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL15259645 0.88
SCHEMBL16967658 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6356441 0.79 SLC6A2 (0.35) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL2864203 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL13751208 0.78 RECQL (0.36) ALDH1A1SMN1; SMN2HPGD
SCHEMBL7041913 0.77 GLO1 (0.39) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL20573106 0.76 ALDH1A1 (0.35) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL13881363 0.76 GRIK1 (0.35) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL9609554 0.75 ESR1 (0.38) SLC6A2SLC6A3ESR1PGRCHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355501-A Methyl methacrylate-containing composition, method for preserving methyl methacrylate-containing composition, and method for producing methyl methacrylate polymer 三菱化学株式会社 2024-01-05 CN disclosed
CN-117242103-A Methyl methacrylate-containing composition and method for producing methyl methacrylate polymer 三菱化学株式会社 2023-12-15 CN disclosed