SCHEMBL29134239

SCHEMBL29134239

COC(C(=O)OC(C)C)=C(OC)c1ccccc1OC.[SiH3]O[SiH2]O[SiH3]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
CTSD P07339 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
STAT3 P40763 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
XBP1 P17861 1/20 0.37
KCNA3 P22001 1/20 0.37
KMT2A Q03164 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
SCHEMBL30664617 0.91 HPGD (0.47) HPGDALDH1A1KCNK3KCNK9CTSD
SCHEMBL28420663 0.88 CTSD (0.39) HPGDALDH1A1KCNK3KCNK9CTSD
SCHEMBL1276319 0.83 STAT3 (0.46) HPGDALDH1A1KCNK3KCNK9CTSD
SCHEMBL31022703 0.78 CTSD (0.53) HPGDALDH1A1KCNK3KCNK9CTSD
SCHEMBL9134542 0.78 CTSD (0.53) HPGDALDH1A1KCNK3KCNK9CTSD
3-Methylbutanol SCHEMBL29037398 0.78 HPGD (0.39) HPGDALDH1A1KCNK3KCNK9CTSD
SCHEMBL536157 0.72 HTT (0.46) HPGDALDH1A1CTSDL3MBTL1STAT3
SCHEMBL29365595 0.72 HTT (0.46) HPGDALDH1A1CTSDL3MBTL1STAT3
SCHEMBL540772 0.72 STAT3 (0.54) HPGDALDH1A1KCNK3KCNK9CTSD
Hydrochloric Acid SCHEMBL11853756 0.71 STAT3 (0.53) HPGDALDH1A1KCNK3KCNK9CTSD

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-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN disclosed
CN-116997316-A Perfume mixture containing isochronic alcohol (Isocitronellol) 西姆莱斯股份公司 2023-11-03 CN disclosed