SCHEMBL26914636

SCHEMBL26914636

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MMP8 P22894 1/20 0.33
CTSK P43235 2/20 0.33
LMNA P02545 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 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
SCHEMBL28724450 0.86 CA2 (0.33) MMP8CTSKLMNACA1CA2
SCHEMBL1268505 0.81 GAA (0.43) GAAALDH1A1LMNACA1CA2
SCHEMBL31412802 0.78 GAA (0.41) GAACTSKCA1CYP3A4ALOX15
SCHEMBL21542075 0.78 GAA (0.41) GAAALDH1A1
SCHEMBL13040942 0.78 GAA (0.41) GAAALDH1A1
SCHEMBL473499 0.78 GAA (0.41) GAACTSKCA1CYP3A4ALOX15
SCHEMBL23135692 0.77 GAA (0.43) GAAALDH1A1
SCHEMBL23046870 0.77 GAA (0.43) GAAALDH1A1
SCHEMBL2741521 0.73 CYP3A4 (0.41) GAAALDH1A1MMP8CA1CA2
SCHEMBL12060125 0.72 GAA (0.46) GAAALDH1A1LMNACA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023232242-A1 FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-12-07 WO claimed
WO-2023232242-A1 FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-12-07 WO disclosed
WO-2023232242-A1 FRAGRANCE MIXTURE SYMRISE AG (DE) 2023-12-07 WO disclosed