SCHEMBL29672148

SCHEMBL29672148

CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C.CC(C)Cc1ccc(C(=O)O)c(C(=O)O)c1CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TSHR P16473 3/20 0.58
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38

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
Phthalic Acid SCHEMBL29113646 0.87 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
Phthalic Acid SCHEMBL31462355 0.87 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
Dibutyl Phthalate SCHEMBL7159902 0.86 TSHR (0.56) ALDH1A1TSHRTP53TDP1KDM4E
SCHEMBL77326 0.84 LMNA (0.39) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL27494885 0.83 LMNA (0.39) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL29672572 0.82 ALDH1A1 (0.61) ALDH1A1TSHRMAPTMEN1KMT2A
Benzoic Acid SCHEMBL16908654 0.82 MEN1 (0.40) ALDH1A1TSHRMAPTMEN1KMT2A
Phthalic Acid SCHEMBL31465164 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL31317637 0.80 ALDH1A1 (0.51) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL226501 0.80 ALDH1A1 (0.86) ALDH1A1TSHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116211978-B Application of fructus amomi extract in preparation of UA (pharmaceutical agent for reducing UA) and anti-gout arthritis 贵州医科大学 2025-02-07 CN claimed
CN-116211978-B Application of fructus amomi extract in preparation of UA (pharmaceutical agent for reducing UA) and anti-gout arthritis 贵州医科大学 2025-02-07 CN disclosed
CN-116211978-A Application of fructus amomi extract in preparation of UA (pharmaceutical agent for reducing UA) and anti-gout arthritis 贵州医科大学 2023-06-06 CN disclosed
CN-110257383-B Aptamer for specifically recognizing di (2-ethyl) hexyl phthalate as well as screening method and application thereof 湖北师范大学 2023-05-26 CN disclosed
CN-114644675-B Method for separating Luo Pancao glycoside B from holly bark 广西大学 2023-05-16 CN disclosed
CN-114644676-B Method for separating luffoside C from cortex Ilicis Rotundae 广西大学 2023-05-16 CN disclosed
CN-114644674-B Method for separating eclipta saponin I from holly bark 广西大学 2023-05-12 CN disclosed
CN-114644677-B New compound separated from cortex Ilicis Rotundae and separation method thereof 广西大学 2023-05-12 CN disclosed
CN-113671068-B Method for analyzing environmental pollutant targeted exposure group in blood plasma and application thereof 暨南大学 2023-01-24 CN disclosed
CN-114644677-A Novel compound separated from ovate leaf holly bark and separation method thereof 广西大学 2022-06-21 CN disclosed