SCHEMBL29045240

SCHEMBL29045240

COCC(CCC(C)OC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC1A1 P43005 2/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
TBXAS1 P24557 1/20 0.35
STING1 Q86WV6 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
GABRR1 P24046 2/20 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
SCHEMBL157396 0.82 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1408565 0.80 FOLH1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2036581 0.78 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8168639 0.77 CA2 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL141328 0.77 HDAC1 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6386008 0.76 GABRR1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29134102 0.76 CA1 (0.38) HDAC1HDAC2CA2
SCHEMBL20210576 0.74 BLM (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1930750 0.73 CA2 (0.63) CHRM1AKR1A1CHRM3HTR2AHTR2C
Bicarbonate SCHEMBL10388112 0.73 ALDH1A1 (0.34) SLC1A1SLC1A3SLC1A2

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-116547781-A Composition for forming resist underlayer film 日产化学株式会社 2023-08-04 CN disclosed
CN-116547343-A Composition for forming silicon-containing resist underlayer film 日产化学株式会社 2023-08-04 CN disclosed