SCHEMBL6202777

SCHEMBL6202777

CCOc1ccc(OCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
MAOB P27338 1/20 0.58
PLA2G4B P0C869 1/20 0.57
PARP10 Q53GL7 1/20 0.54
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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) MAPTRAB9AL3MBTL1NPC1KDM4E
SCHEMBL6319805 0.87 MAPT (0.68) MAPTRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL6321338 0.87 MAPT (0.64) MAPTRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL6318934 0.87 MAPT (0.78) MAPTRAB9AL3MBTL1NPC1KDM4E
SCHEMBL6328277 0.87 MAPT (0.64) MAPTRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL3868073 0.85 MAPT (0.63) MAPTRAB9AL3MBTL1NPC1KDM4E
SCHEMBL3866097 0.84 MAPT (0.57) MAPTRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL6204121 0.83 LMNA (0.64) MAPTRAB9AL3MBTL1NPC1KDM4E
SCHEMBL6326562 0.83 LMNA (0.64) MAPTRAB9AL3MBTL1NPC1KDM4E
SCHEMBL29446640 0.83 MAPT (0.69) MAPTRAB9AALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US claimed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP claimed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO claimed