SCHEMBL7136126

SCHEMBL7136126

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.44
SLC7A5 Q01650 1/20 0.44
OR51E2 Q9H255 1/20 0.40
TP53 P04637 1/20 0.39
MME P08473 4/20 0.39
LAP3 P28838 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CPA1 P15085 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
Acetic Acid SCHEMBL27917011 0.88 RNPEP (0.41) RNPEPSLC7A5OR51E2MMELAP3
Glycerin SCHEMBL1838800 0.85 LMNA (0.53) OR51E2TP53ALDH1A1LMNA
Glycerin SCHEMBL11364524 0.85 LMNA (0.53) OR51E2TP53ALDH1A1LMNA
Glycerin SCHEMBL2442337 0.85 LMNA (0.53) OR51E2TP53ALDH1A1LMNA
SCHEMBL271356 0.84
SCHEMBL801027 0.84
SCHEMBL28796528 0.84 TSHR (0.50) RNPEPSLC7A5LAP3ALDH1A1LMNA
SCHEMBL2625315 0.84
Ammonia Solution, Strong SCHEMBL1333596 0.82
SCHEMBL27338395 0.82

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-6503965-B1 Ink composition comprising nonfluorescent pigment predispersed in alkyd resin, high boiling point hydrocarbon solvent, and stabilizer selected from antioxidants and antiskinning agents, which prevents alkyd resin from polymerizing BIC CORPORATION 2003-01-07 US claimed