SCHEMBL6319805

SCHEMBL6319805

CC(=O)c1ccc(OCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
LMNA P02545 3/20 0.68
MAOA P21397 2/20 0.67
MAOB P27338 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6325847 0.91 MAPT (0.64) MAPTLMNAL3MBTL1KDM4ERAB9A
SCHEMBL6202777 0.87 MAPT (0.64) MAPTLMNAMAOBL3MBTL1KDM4E
SCHEMBL6318934 0.87 MAPT (0.78) MAPTLMNAL3MBTL1KDM4ERAB9A
SCHEMBL6321338 0.87 MAPT (0.64) MAPTLMNAL3MBTL1KDM4ERAB9A
SCHEMBL6328277 0.87 MAPT (0.64) MAPTLMNAL3MBTL1KDM4ERAB9A
SCHEMBL31357494 0.85 MAPT (0.70) MAPTLMNAL3MBTL1GAARAB9A
SCHEMBL9787036 0.85 MAPT (0.85) MAPTLMNAMAOBL3MBTL1GAA
SCHEMBL3868073 0.85 MAPT (0.63) MAPTLMNAL3MBTL1KDM4ERAB9A
SCHEMBL18477949 0.84 MAOB (0.73) MAPTLMNAMAOAMAOBL3MBTL1
SCHEMBL3866097 0.84 MAPT (0.57) MAPTLMNAMAOAMAOBL3MBTL1

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed