SCHEMBL6004245

SCHEMBL6004245

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
TP53 P04637 1/20 0.38
ACE P12821 3/20 0.37
MME P08473 2/20 0.37
CPA1 P15085 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 3/20 0.34
MAPT P10636 2/20 0.34
PTGS2 P35354 1/20 0.34
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 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
Glycerin SCHEMBL5029753 0.88 LMNA (0.47) OR51E2RNPEPTP53ACELMNA
Glycerin SCHEMBL8535610 0.88 LMNA (0.47) OR51E2RNPEPTP53ACELMNA
Lactic Acid SCHEMBL26109004 0.86 TP53 (0.55) OR51E2TP53LMNAALDH1A1TDP1
Bicarbonate SCHEMBL1525700 0.83 LMNA (0.44) OR51E2TP53LMNAALDH1A1TDP1
SCHEMBL4977866 0.81 SLC22A6 (0.41) ACEMMECPA1ACE2LMNA
Oxalic Acid SCHEMBL23163128 0.80 LMNA (0.42) OR51E2LMNAALDH1A1TDP1TSHR
Acetic Acid SCHEMBL2958344 0.80 LMNA (0.42) OR51E2LMNAALDH1A1TDP1TSHR
Propylene Glycol SCHEMBL1171003 0.80 TDP1 (0.56) OR51E2RNPEPTP53ACELMNA
Alcohol SCHEMBL5477411 0.80
SCHEMBL6002429 0.78 FOLH1 (0.41) ACEMMECPA1ACE2ALDH1A1

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