SCHEMBL29604106

SCHEMBL29604106

CCCCCCOC(C(=O)O)n1cnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.48
APAF1 O14727 1/20 0.44
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
MGAM O43451 1/20 0.41
AMY1A P0DUB6 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL668253 0.79 ASAH1 (0.51) ASAH1APAF1KMT2AHPGDHSD17B10
SCHEMBL4558108 0.73 ASAH1 (0.50) ASAH1APAF1KMT2AHPGDHSD17B10
SCHEMBL668254 0.73 ASAH1 (0.50) ASAH1APAF1KMT2AHPGDHSD17B10
SCHEMBL3795625 0.73 HDAC8 (0.55) ASAH1APAF1KMT2AHPGDHSD17B10
SCHEMBL8744445 0.73 ASAH1 (0.62) ASAH1KMT2AHPGDHSD17B10MEN1
SCHEMBL29145161 0.73 ASAH1 (0.62) ASAH1KMT2AHPGDHSD17B10MEN1
SCHEMBL7854777 0.72 ASAH1 (0.51) ASAH1KMT2AHPGDHSD17B10MEN1
SCHEMBL21388677 0.72 ASAH1 (0.51) ASAH1KMT2AHPGDHSD17B10MEN1
SCHEMBL21559595 0.72 ASAH1 (0.51) ASAH1KMT2AHPGDHSD17B10MEN1
SCHEMBL14740043 0.71 MEN1 (0.48) ASAH1APAF1KMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119097698-A Inhibitors of mevalonate pathway as efficient vaccine adjuvants 清华大学 2024-12-10 CN disclosed
CN-114848656-B Inhibitors of mevalonate pathway as efficient vaccine adjuvants 清华大学 2024-09-27 CN disclosed
CN-114848656-A Inhibitors of the mevalonate pathway as highly effective vaccine adjuvants 清华大学 2022-08-05 CN disclosed
CN-108289902-B Inhibitors of the mevalonate pathway as highly effective vaccine adjuvants 清华大学 2022-05-20 CN disclosed