SCHEMBL6003775

SCHEMBL6003775

CC(C)(S)C(=O)O.CC(C)(S)C(=O)O.CCC(O)CO

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.33
OR51E2 Q9H255 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 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
Glycerin SCHEMBL17363584 0.88 ALDH1A1 (0.47) ACACBACACALMNAALDH1A1TSHR
Bicarbonate SCHEMBL1525700 0.83 LMNA (0.44) LMNAALDH1A1TSHROR51E2KDM4E
Pivalate SCHEMBL6882167 0.82 ACACB (0.35) ACACBACACALMNAALDH1A1TSHR
Propylene Glycol SCHEMBL1171147 0.81 TDP1 (0.50) ACACBACACALMNAALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL29678773 0.81 LMNA (0.38) ACACBACACALMNAALDH1A1OR51E2
Oxalic Acid SCHEMBL23163128 0.80 LMNA (0.42) LMNAALDH1A1TSHROR51E2KDM4E
Acetic Acid SCHEMBL2958344 0.80 LMNA (0.42) LMNAALDH1A1TSHROR51E2KDM4E
Alcohol SCHEMBL29120271 0.80 ALDH1A1 (0.42) ALDH1A1TSHRMAPTPTGS1MEN1
Glycerin SCHEMBL11231404 0.78 ALDH1A1 (0.47) ACACBACACALMNAALDH1A1TSHR
SCHEMBL6004245 0.77 OR51E2 (0.39) LMNAALDH1A1TSHROR51E2MAPT

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
US-20060036023-A1 Color filter black matrix resist composition SHOWA DENKO K.K. (JP) 2006-02-16 US disclosed