SCHEMBL8224347

SCHEMBL8224347

CCCCOc1ccc(OCCC(OCC)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
NR5A1 Q13285 1/20 0.47
SLC2A1 P11166 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PLA2G4B P0C869 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL8227407 0.96 NR5A1 (0.53) LTA4HNR5A1SLC2A1TSHRTP53
SCHEMBL3776385 0.85 LTA4H (0.48) LTA4HNR5A1SLC2A1TSHRCYP3A4
SCHEMBL14860573 0.82 TSHR (0.36) LTA4HSLC2A1TSHRTP53CYP3A4
SCHEMBL15329929 0.81 CA2 (0.43) TP53CA1CA2
SCHEMBL14141616 0.79 PARP10 (0.63) TSHRTP53PLA2G4BCA1CA2
SCHEMBL26850 0.78 LTA4H (0.70) LTA4HNR5A1TSHRTP53CYP3A4
SCHEMBL2841624 0.78 TDP1 (0.68) LTA4HNR5A1SLC2A1TSHRTP53
SCHEMBL8223217 0.78 LTA4H (0.42) LTA4HNR5A1SLC2A1TSHRCYP3A4
SCHEMBL16353935 0.77 SLC2A1 (0.50) LTA4HNR5A1SLC2A1CYP3A4CYP2D6
1-Butyloxy-4-Ethoxybenzene SCHEMBL14695816 0.77 NQO1 (0.74) LTA4HNR5A1TSHRCYP3A4CYP2D6

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
US-6140274-A Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed