SCHEMBL28250096

SCHEMBL28250096

CC(=O)OCC1CCCO1.CCCC(=O)OCC1CCCO1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
POLB P06746 1/20 0.68
ALDH1A1 P00352 1/20 0.64
MGLL Q99685 2/20 0.46

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
SCHEMBL873613 0.94 LMNA (0.76) LMNAPOLBALDH1A1MGLL
SCHEMBL27672921 0.92 LMNA (0.73) LMNAPOLBALDH1A1MGLL
Butyric Acid SCHEMBL27672929 0.88 ALDH1A1 (0.64) LMNAPOLBALDH1A1MGLL
SCHEMBL17269992 0.87 LMNA (0.64) LMNAPOLBALDH1A1
SCHEMBL10290385 0.87 LMNA (0.64) LMNAPOLBALDH1A1
SCHEMBL118897 0.87 LMNA (0.64) LMNAPOLBALDH1A1
Alcohol SCHEMBL23159788 0.86 LMNA (0.58) LMNAPOLBALDH1A1
SCHEMBL29045575 0.86 LMNA (0.62) LMNAPOLBALDH1A1MGLL
SCHEMBL154213 0.85 LMNA (0.82) LMNAPOLBALDH1A1MGLL
SCHEMBL1068467 0.84 ALDH1A1 (0.87) LMNAPOLBALDH1A1MGLL

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-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed