SCHEMBL29451204

SCHEMBL29451204

CC(C)CC(=O)CSC(SCC(=O)CC(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.42
ACHE P22303 1/20 0.41
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
APAF1 O14727 1/20 0.37
SLC25A5 P05141 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL6232946 0.77 ALKBH5 (0.53) SLC6A3LMNAALDH1A1
Biphenyl SCHEMBL27875800 0.71 ACHE (0.50) ACHELMNAHPGDMAPTSLC25A5
SCHEMBL7525590 0.70 SLC6A3 (0.51) SLC6A3LMNA
Toluene SCHEMBL27269348 0.70 ACHE (0.63) ACHELMNAHPGDPOLBMAPT
Toluene SCHEMBL27263597 0.70 ACHE (0.63) ACHELMNAHPGDPOLBMAPT
Phenol SCHEMBL7358890 0.70 ACHE (0.48) ACHELMNAHPGDALDH1A1SLC25A5
Benzene SCHEMBL27459135 0.70 CYP2C19 (0.52) ACHELMNAHPGDALDH1A1SLC25A5
SCHEMBL27818074 0.69 APOBEC3A (0.52) ACHELMNAHPGDPOLBALDH1A1
SCHEMBL106992 0.68 TSHR (0.53) HPGDPOLBMAPTALDH1A1
Chlorobenzene SCHEMBL29010589 0.68 ACHE (0.47) ACHELMNAHPGDPOLBMAPT

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-114341323-A Compounds providing long lasting floral and fruity notes 弗门尼舍有限公司 2022-04-12 CN disclosed