SCHEMBL29059902

SCHEMBL29059902

COC(=O)COc1ccc(OC)cc1-c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ PTGDR2 Q9Y5Y4 6/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ PTPN1 P18031 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45

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
SCHEMBL29059894 0.85 PDK2 (0.47) L3MBTL1LMNAHTTMAPK1TDP1
SCHEMBL14327977 0.82 L3MBTL1 (0.64) L3MBTL1LMNAHTTMAPK1TDP1
SCHEMBL5989812 0.80 BACE1 (0.51) L3MBTL1LMNAHTTMAPK1TDP1
SCHEMBL29386715 0.79 KDM4E (0.59) L3MBTL1LMNAMAPK1MAPTKDM4E
SCHEMBL5004237 0.77 PTGDR2 (0.74) L3MBTL1LMNAHTTTDP1MAPT
SCHEMBL15517137 0.76 ALDH1A1 (0.51) L3MBTL1HTTMAPK1TDP1MAPT
SCHEMBL10372081 0.75 POLB (0.56) LMNAHTTMAPK1TDP1MAPT
SCHEMBL31359444 0.74 PLA2G1B (0.52) L3MBTL1LMNAHTTMAPK1TDP1
SCHEMBL19086323 0.74 PLA2G1B (0.52) L3MBTL1LMNAHTTMAPK1TDP1
SCHEMBL10373684 0.74 HTT (0.52) LMNAHTTMAPK1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669721-A Anticholinergic agent 宁康瑞珠生物制药(珠海)有限公司 2023-08-29 — — CN disclosed
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