SCHEMBL31346314

SCHEMBL31346314

CCC(C)CC(=O)C(=O)C(=O)CC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.33
MAPT P10636 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL11328060 0.81 CES1 (0.39) CA2CA1CA7CA14ALDH1A1
SCHEMBL2171974 0.81 CA2 (0.36) CA2CA1CA7CA14ALDH1A1
SCHEMBL1301619 0.81 CA2 (0.36) CA2CA1CA7CA14ALDH1A1
SCHEMBL1509686 0.77 TDP1 (0.37) CA2CA1CA7CA14ALDH1A1
SCHEMBL28577685 0.76
SCHEMBL5079896 0.76 CA2 (0.52) CA2CA1CA7CA14
SCHEMBL14871922 0.75 CA2 (0.37) CA2CA1CA7CA14ALDH1A1
SCHEMBL50835 0.74
SCHEMBL3649498 0.74
SCHEMBL7540967 0.74

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-119317701-A Beer flavor stock solution 三得利控股株式会社 2025-01-14 CN disclosed