SCHEMBL8488089

SCHEMBL8488089

COC(=O)N1C2C=CC(c3ccc4c(c3)OCO4)C1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EDNRA P25101 2/20 0.38
EDNRB P24530 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TERT O14746 1/20 0.37

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
SCHEMBL8488085 1.00 KDM4E (0.43) KDM4EALDH1A1GAAMAPK1NPSR1
SCHEMBL8491739 0.75 ALDH1A1 (0.43) KDM4EALDH1A1GAAMAPK1HPGD
SCHEMBL8490031 0.69 HTT (0.53) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL8490034 0.69 HTT (0.53) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL7959569 0.68 TSHR (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL31454786 0.64 MAPK9 (0.55) GAAMAPK1HPGDHTTMAPT
SCHEMBL15091787 0.64 L3MBTL1 (0.65) KDM4EALDH1A1GAAMAPK1NPSR1
SCHEMBL8486011 0.63 RAB9A (0.44) KDM4EKMT2A
SCHEMBL18088844 0.63 NPSR1 (0.55) KDM4EALDH1A1GAAMAPK1NPSR1
SCHEMBL18076240 0.63 NPSR1 (0.55) KDM4EALDH1A1GAAMAPK1NPSR1

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
WO-1999038865-A1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES AS PESTICIDES ZENECA LIMITED (GB) 1999-08-05 WO disclosed