SCHEMBL29601907

SCHEMBL29601907

CCCC(=O)OCCOCCOCCOCCOCCOC(=O)CCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.58
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.44
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.41
HTR2C P28335 1/20 0.41
EPHX2 P34913 2/20 0.41
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
PAM P19021 2/20 0.38
FFAR3 O14843 1/20 0.38

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
Diethylene Glycol Dibutanoate SCHEMBL421383 1.00 DGKA (0.58) DGKAALDH1A1TSHRADRA2AADRA1A
SCHEMBL13465983 1.00 DGKA (0.58) DGKAALDH1A1TSHRADRA2AADRA1A
Triethylene Glycol Dibutanoate SCHEMBL4305344 1.00 DGKA (0.58) DGKAALDH1A1TSHRADRA2AADRA1A
SCHEMBL29253805 0.95 DGKA (0.54) DGKAALDH1A1TSHRADRA2AADRA1A
SCHEMBL2249107 0.95 DGKA (0.54) DGKAALDH1A1TSHRADRA2AADRA1A
SCHEMBL181434 0.93 ALDH1A1 (0.56) DGKAALDH1A1TSHRADRA2AADRA1A
SCHEMBL181703 0.93 ALDH1A1 (0.52) DGKAALDH1A1TSHRADRA2AADRA1A
SCHEMBL420321 0.93 ALDH1A1 (0.52) DGKAALDH1A1TSHRADRA2AADRA1A
Ethylene Glycol Dibutanoate SCHEMBL104207 0.92 DGKA (0.65) DGKAALDH1A1TSHRADRA2AADRA1A
SCHEMBL1362180 0.91 DGKA (0.50) DGKAALDH1A1TSHRADRA2AADRA1A

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-117983518-A Method for manufacturing laminated structure and use thereof 株式会社钟化 2024-05-07 CN disclosed
CN-114375352-A Use of cellulose acetate staple fibers to improve pilling resistance in fabrics 伊士曼化工公司 2022-04-19 CN disclosed