SCHEMBL28905913

SCHEMBL28905913

CCCCC(O)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
CTSS P25774 2/20 0.36
DGAT1 O75907 1/20 0.35
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PAM P19021 2/20 0.31

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
SCHEMBL22031933 0.79 DGAT1 (0.41) CTSKCTSSDGAT1KMT2ATDP1
SCHEMBL23151998 0.79 DGAT1 (0.39) CTSKCTSSDGAT1KMT2ATDP1
SCHEMBL7139547 0.76 CTSK (0.35) CTSKCTSSDGAT1KMT2AMEN1
SCHEMBL9543424 0.76 FDPS (0.36) CTSKCTSSDGAT1KMT2AALDH1A1
SCHEMBL345584 0.76 FDPS (0.36) CTSKCTSSDGAT1KMT2AALDH1A1
SCHEMBL18791600 0.76 DGAT1 (0.40) CTSKCTSSDGAT1KMT2AMEN1
SCHEMBL28134679 0.76 DGAT1 (0.40) CTSKCTSSDGAT1KMT2ATDP1
SCHEMBL28489181 0.76 CYP4F2 (0.44) CTSKCTSSDGAT1KMT2ATDP1
SCHEMBL6535584 0.76 FDPS (0.38) CTSKCTSSDGAT1
SCHEMBL29286898 0.76 DGAT1 (0.36) CTSKCTSSDGAT1KMT2ATDP1

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-115108901-A Synthetic method of alpha-hydroxycarboxylic acid compound 四川大学 2022-09-27 CN disclosed