SCHEMBL8760893

SCHEMBL8760893

CCCOc1ccc(C(CC)(CC)c2ccc(O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.66
ESR1 P03372 6/20 0.66
ESR2 Q92731 4/20 0.66
NR5A1 Q13285 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.48
PLK1 P53350 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACACB O00763 1/20 0.43
MGAM O43451 3/20 0.43
GAA P10253 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43

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
SCHEMBL6335011 0.91 LTA4H (0.50) LTA4HESR1ESR2PLK1MEN1
SCHEMBL8761178 0.86 ESR1 (0.70) LTA4HESR1ESR2NR5A1ABCG2
1-Hydroxy-4-Propoxybenzene SCHEMBL56796 0.85 LTA4H (0.88) LTA4HESR1ESR2NR5A1ABCG2
SCHEMBL10328457 0.84 LTA4H (0.68) LTA4HESR1ESR2NR5A1ABCG2
SCHEMBL10704665 0.83 LTA4H (0.84) LTA4HESR1ESR2NR5A1ABCG2
1-Hydroxy-4-Propoxybenzene SCHEMBL27539049 0.83 LTA4H (0.84) LTA4HESR1ESR2NR5A1ABCG2
SCHEMBL258649 0.81 ESR1 (1.00) ESR1ESR2
SCHEMBL7908974 0.80 CYP3A4 (0.59) LTA4HESR1ESR2NR5A1MEN1
SCHEMBL8760915 0.80 ESR1 (0.73) LTA4HESR1ESR2GAA
SCHEMBL18857215 0.80 LTA4H (0.62) LTA4HESR1ESR2NR5A1ABCG2

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
EP-0497465-B1 Record material APPLETON PAPER INC (US) 1997-06-04 EP disclosed
EP-0497465-A1 Record material APPLETON PAPERS INC. (US) 1992-08-05 EP disclosed