SCHEMBL7806804

SCHEMBL7806804

COc1cc(=O)c2cc(C)ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.60
KCNH2 Q12809 1/20 0.60
MAPT P10636 3/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CSNK2A2 P19784 2/20 0.53
CSNK2B P67870 2/20 0.53
CSNK2A1 P68400 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL6036796 0.81 KDM4E (0.52) KCNA5KCNH2MAPTHTTKDM4E
SCHEMBL2981579 0.79 NPC1 (0.58) KCNA5KCNH2MAPTKDM4EALDH1A1
SCHEMBL29120210 0.79 MAPT (0.48) KCNA5KCNH2MAPTHTTKDM4E
SCHEMBL266614 0.78 MAPT (0.63) KCNA5KCNH2MAPTHTTKDM4E
SCHEMBL29627462 0.77 MAPT (0.50) KCNA5KCNH2MAPTHTTKDM4E
SCHEMBL28739772 0.77 MAPT (0.50) KCNA5KCNH2MAPTHTTKDM4E
SCHEMBL2720196 0.77 KDM4E (0.50) KCNA5KCNH2MAPTHTTKDM4E
SCHEMBL7534248 0.76 MAPT (0.55) KCNA5KCNH2MAPTHTTKDM4E
SCHEMBL535143 0.75 KCNA5 (1.00) KCNA5KCNH2MAPTKDM4EALDH1A1
SCHEMBL13347724 0.75 MAPT (0.63) KCNA5KCNH2MAPTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861242-B1 HETEROCYCLIC FUNGICIDES AVENTIS CROPSCIENCE UK LTD (GB) 2001-05-30 EP disclosed
US-6034121-A AGRICULTURE AGREVO UK LIMITED (GB) 2000-03-07 US disclosed
EP-0861242-A1 HETEROCYCLIC FUNGICIDES AgrEvo UK Limited (GB) 1998-09-02 EP disclosed
WO-1997013762-A1 HETEROCYCLIC FUNGICIDES AGREVO UK LIMITED (GB) 1997-04-17 WO disclosed