SCHEMBL8516834

SCHEMBL8516834

C=CCOc1c(C=C)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
MYB P10242 1/20 0.39
TLR4 O00206 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 1/20 0.34
MTNR1A P48039 1/20 0.33

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
SCHEMBL9310776 0.83 SLC2A1 (0.43) HPGDGAAMAPTTSHRHSD17B10
SCHEMBL26208674 0.83 HPGD (0.46) HPGDPOLBGAAMAPTATM
SCHEMBL3816129 0.81 HPGD (0.60) HPGDPOLBGAAMAPTMYB
SCHEMBL21253838 0.81 HPGD (0.49) HPGDPOLBGAAMAPTATM
SCHEMBL2201698 0.80 ALDH1A1 (0.42) HPGDMAPTTSHRHSD17B10CYP3A4
SCHEMBL20537238 0.80 HPGD (0.51) HPGDPOLBGAAMAPTTSHR
SCHEMBL20554922 0.80 HPGD (0.48) HPGDPOLBGAAMAPTATM
SCHEMBL5086985 0.80 HPGD (0.48) HPGDPOLBGAAMAPTATM
SCHEMBL8741164 0.80 L3MBTL1 (0.50) GAAMYBTLR4ALDH1A1TDP1
SCHEMBL7128768 0.79 HPGD (0.45) HPGDPOLBGAAMAPTATM

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-6005151-A Processs for preparing aromatic olefins using palladacycle catalysis AVENTIS (DE) 1999-12-21 US claimed
US-6005151-A Processs for preparing aromatic olefins using palladacycle catalysis AVENTIS (DE) 1999-12-21 US disclosed