SCHEMBL29080702

SCHEMBL29080702

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NAAA Q02083 1/20 0.34
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HIF1A Q16665 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
ELANE P08246 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27625736 0.86 TSHR (0.38) MAPTNAAATSHRTDP1HIF1A
SCHEMBL30320231 0.86 MAPT (0.47) MAPTNAAATSHRTDP1HIF1A
SCHEMBL2854978 0.86 MAPT (0.47) MAPTNAAATSHRTDP1HIF1A
SCHEMBL1464838 0.82 TDP1 (0.50) MAPTNAAATSHRTDP1HIF1A
SCHEMBL2700961 0.82 NAAA (0.35) MAPTNAAATSHRTDP1HIF1A
SCHEMBL445901 0.82 NAAA (0.38) MAPTNAAATSHRTDP1HIF1A
SCHEMBL181619 0.81 NAAA (0.34) MAPTNAAATSHRTDP1HIF1A
SCHEMBL6062167 0.81 NAAA (0.34) MAPTNAAATSHRTDP1HIF1A
SCHEMBL223951 0.81 NAAA (0.34) MAPTNAAATSHRTDP1HIF1A
SCHEMBL6062790 0.81 NAAA (0.34) MAPTNAAATSHRTDP1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551986-A Fragrance composition 奇华顿股份有限公司 2022-12-30 CN disclosed
CN-109689848-B Fragrance composition 奇华顿股份有限公司 2022-12-23 CN disclosed