SCHEMBL29115776

SCHEMBL29115776

COc1ccccc1OCC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.55
HSD17B10 Q99714 1/20 0.53
HDAC3 O15379 1/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
HDAC4 P56524 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
HDAC1 Q13547 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL6822475 0.90 KMT2A (0.63) SMN1; SMN2POLBL3MBTL1TUBB4ATUBB
SCHEMBL15954474 0.86 HIF1A (0.67) SMN1; SMN2POLBKMT2AHIF1AEPAS1
SCHEMBL31150639 0.86 HIF1A (0.67) SMN1; SMN2POLBKMT2AHIF1AEPAS1
SCHEMBL29620410 0.83 POLB (0.71) SMN1; SMN2POLBL3MBTL1HSD17B10KMT2A
SCHEMBL9787268 0.83 POLB (0.71) SMN1; SMN2POLBL3MBTL1HSD17B10KMT2A
SCHEMBL29115783 0.81 KMT2A (0.56) SMN1; SMN2POLBL3MBTL1HSD17B10KMT2A
SCHEMBL7110541 0.81 L3MBTL1 (0.56) SMN1; SMN2POLBL3MBTL1KMT2ANPSR1
SCHEMBL17967103 0.81 MAPK1 (0.67) SMN1; SMN2POLBL3MBTL1KMT2AHIF1A
SCHEMBL6129112 0.80 L3MBTL1 (0.59) SMN1; SMN2L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL5947939 0.79 NPC1 (0.70) SMN1; SMN2POLBL3MBTL1HSD17B10KMT2A

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-119390550-A Method for catalytically cracking beta-O-4 lignin model compound by using visible light 浙江工业大学 2025-02-07 CN disclosed
CN-117069567-A Method for converting oxidized lignin and model compound thereof into high-added-value organic small molecular compound 兰州大学 2023-11-17 CN disclosed