SCHEMBL6328277

SCHEMBL6328277

COc1ccc(OCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 1/20 0.64
HSD17B10 Q99714 1/20 0.64
HPGD P15428 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
KCNH2 Q12809 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLC2A1 P11166 1/20 0.55
GSK3B P49841 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54

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
SCHEMBL6321338 1.00 MAPT (0.64) MAPTALDH1A1HTTHSD17B10HPGD
SCHEMBL21100591 0.91 MAPT (0.73) MAPTALDH1A1HTTHSD17B10KDM4E
SCHEMBL6325847 0.91 MAPT (0.64) MAPTL3MBTL1KDM4ELMNANPC1
SCHEMBL3866097 0.87 MAPT (0.57) MAPTALDH1A1HTTHSD17B10L3MBTL1
SCHEMBL6318934 0.87 MAPT (0.78) MAPTL3MBTL1KDM4ELMNAKCNH2
SCHEMBL6202777 0.87 MAPT (0.64) MAPTALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL6319805 0.87 MAPT (0.68) MAPTALDH1A1HTTHSD17B10L3MBTL1
SCHEMBL6326124 0.86 MAPT (0.56) MAPTALDH1A1HTTHSD17B10L3MBTL1
SCHEMBL7168347 0.85 MAPT (0.71) MAPTALDH1A1HTTHSD17B10MEN1
SCHEMBL31357494 0.85 MAPT (0.70) MAPTALDH1A1HTTHSD17B10L3MBTL1

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-116375641-A C3-phenoxy substituted quinoline compound and synthetic method and application thereof 杭州师范大学 2023-07-04 CN disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed