SCHEMBL28249353

SCHEMBL28249353

CCC(C)COC(=O)C(C)CC.CCC(C)COC(=O)C=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
PRKCA P17252 1/20 0.35
TSHR P16473 3/20 0.34
ALOX15 P16050 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3504566 0.91 MAPT (0.42) MAPTPRKCATSHRALOX15L3MBTL1
SCHEMBL8954807 0.84 MAPT (0.47) MAPTTSHRNPSR1ALDH1A1
SCHEMBL1172359 0.84 MAPT (0.47) MAPTTSHRNPSR1ALDH1A1
SCHEMBL8954811 0.84 MAPT (0.47) MAPTTSHRNPSR1ALDH1A1
SCHEMBL4405421 0.77 MAPT (0.40) MAPTTSHRNPSR1
SCHEMBL4405422 0.77 MAPT (0.40) MAPTTSHRNPSR1
SCHEMBL23937333 0.76 ALOX15 (0.38) MAPTALOX15
SCHEMBL4396604 0.75 MAPT (0.41) MAPTTSHRNPSR1
SCHEMBL11747186 0.74 MAPT (0.46) MAPTTSHRNPSR1ALDH1A1
SCHEMBL28367450 0.74 MAPT (0.46) MAPTTSHRNPSR1ALDH1A1

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