SCHEMBL28005123

SCHEMBL28005123

CCOC(=O)CCC(CCCCCCC(CCC(=O)OCC)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
FOLH1 Q04609 5/20 0.49
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CPB2 Q96IY4 1/20 0.44
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL28562917 0.95 GRIK1 (0.50) KMT2AFOLH1CHRM1AKR1A1CHRM3
SCHEMBL29242738 0.93 GRIK1 (0.49) KMT2AFOLH1POLBCYP1A2L3MBTL1
SCHEMBL29678384 0.89 FOLH1 (0.50) KMT2AFOLH1POLBCYP1A2L3MBTL1
SCHEMBL17961063 0.88 DGKA (0.55) KMT2ACA2MAPK1GRIK1GRIK2
SCHEMBL28005168 0.87 KMT2A (0.40) KMT2AFOLH1POLBCYP1A2L3MBTL1
SCHEMBL30732583 0.86 DGKA (0.53) KMT2ATDP1CA2MAPK1GRIK1
SCHEMBL28042974 0.86 TDP1 (0.55) KMT2APOLBCYP1A2CHRM1AKR1A1
SCHEMBL14360165 0.86 CA2 (0.53) KMT2APOLBCYP1A2CPB2TDP1
SCHEMBL6458253 0.84 CA2 (0.55) KMT2APOLBCYP1A2CHRM1AKR1A1
Ethyl Tetradecanoate SCHEMBL8000997 0.82 MAPT (0.54) KMT2AGRIK1GRIK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447277-B A kind of method of coproduction capacitor stage 2-butyl sebacic acid and 2,9-dibutyl sebacic acid JIANGSU GUOTAI SUPER POWER NEW MATERIALS CO., LTD. (CN) 2016-03-09 CN claimed
CN-104447277-A Co-production method for capacitance-grade 2-butylsebacic acid and 2, 9-butylsebacic acid JIANGSU GUOTAI SUPER POWER NEW MATERIALS CO LTD 2015-03-25 CN claimed
CN-104447277-B A kind of method of coproduction capacitor stage 2-butyl sebacic acid and 2,9-dibutyl sebacic acid JIANGSU GUOTAI SUPER POWER NEW MATERIALS CO., LTD. (CN) 2016-03-09 CN disclosed
CN-104447277-A Co-production method for capacitance-grade 2-butylsebacic acid and 2, 9-butylsebacic acid JIANGSU GUOTAI SUPER POWER NEW MATERIALS CO LTD 2015-03-25 CN disclosed