SCHEMBL29080700

SCHEMBL29080700

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 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
SCHEMBL29080699 1.00 NAAA (0.33) NAAAMAPTALDH1A1CYP1A2HPGD
SCHEMBL27646135 0.85 NAAA (0.35) NAAAMAPTALDH1A1CYP1A2HPGD
SCHEMBL12873252 0.76
SCHEMBL124736 0.75
SCHEMBL181935 0.74 NAAA (0.39) NAAAMAPTALDH1A1CYP1A2HPGD
SCHEMBL445120 0.74 NAAA (0.39) NAAAMAPTALDH1A1CYP1A2HPGD
Hydrochloric Acid SCHEMBL27501013 0.73 TSHR (0.46) NAAAMAPTALDH1A1CYP1A2HPGD
SCHEMBL14400015 0.73 NAAA (0.35) NAAAMAPTALDH1A1CYP1A2HPGD
SCHEMBL16254840 0.73 ALDH1A1 (0.36) NAAAMAPTALDH1A1CYP1A2HPGD
SCHEMBL23904166 0.73 NAAA (0.32) NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234470-A Perfuming complex of natural origin, perfuming composition and aqueous fragrance composition 伊碧申香料有限公司 2024-06-21 CN disclosed
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