SCHEMBL30516573

SCHEMBL30516573

CCCC(=O)C(CC)C(=O)O.CCCC(=O)CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
FKBP4 Q02790 1/20 0.35
FKBP5 Q13451 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 2/20 0.33
TRPA1 O75762 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL30516572 1.00 GAA (0.44) GAAMGAMSIMGAM2FKBP4
SCHEMBL16909335 0.83 GAA (0.50) GAAMGAMSIMGAM2FKBP4
SCHEMBL21832 0.82 GAA (0.64) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL30516629 0.81 HDAC1 (0.39) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL28142546 0.80 GAA (0.61) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL17433547 0.80 GAA (0.61) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL17433596 0.80 GAA (0.61) GAAMGAMSIMGAM2L3MBTL1
Fluoride SCHEMBL28327166 0.80 GAA (0.61) GAAMGAMSIMGAM2L3MBTL1
Ammonia Solution, Strong SCHEMBL28164171 0.80 GAA (0.61) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL28167636 0.80 GAA (0.61) GAAMGAMSIMGAM2L3MBTL1

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-116381073-A Application of biomarker in preparation of lung cancer detection reagent and method 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2023-07-04 CN claimed
CN-116381073-A Application of biomarker in preparation of lung cancer detection reagent and method 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2023-07-04 CN disclosed