SCHEMBL29280683

SCHEMBL29280683

CCCOCC(=O)OCC.CCCOCC(=O)OCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
TSHR P16473 2/20 0.38
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.36
CES2 O00748 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36

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
SCHEMBL1053009 0.96 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1058897 0.93 NAAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL26728149 0.91 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17947600 0.91 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17947671 0.91 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20365463 0.91 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13319073 0.89 NAAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29060508 0.88 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL445302 0.86 ALDH1A1 (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7647950 0.86 NAAA (0.40) ALDH1A1TSHRNAAADGKALMNA

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
CN-110007563-B Negative photosensitive resin composition, spacer, protective film, and liquid crystal display element 奇美实业股份有限公司 2024-04-02 CN disclosed