SCHEMBL8760889

SCHEMBL8760889

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.57
NR5A1 Q13285 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.43
ACACB O00763 2/20 0.42
PLK1 P53350 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL18773750 0.90 NR5A1 (0.65) LTA4HNR5A1GAA
SCHEMBL8760077 0.88 LTA4H (0.54) LTA4HNR5A1ABCG2PLK1ESR1
SCHEMBL8760897 0.85 SLC6A2 (0.44) LTA4HNR5A1ESR1ESR2GAA
SCHEMBL52004 0.82 ESR1 (0.50) ESR1ESR2
SCHEMBL346407 0.81 SMN1; SMN2 (0.57) GAA
SCHEMBL8761434 0.81 ESR2 (0.48) LTA4HESR1ESR2GAA
SCHEMBL10328457 0.81 LTA4H (0.68) LTA4HNR5A1ABCG2ACACBPLK1
SCHEMBL8761103 0.80 KDM4E (0.40) ACACBESR1ESR2
SCHEMBL5702462 0.79 NQO1 (0.52) LTA4HPLK1
1-Hydroxy-4-Propoxybenzene SCHEMBL56796 0.79 LTA4H (0.88) LTA4HNR5A1ABCG2PLK1ESR1

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