SCHEMBL8760964

SCHEMBL8760964

CCOc1ccc(C(CC(C)C)c2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.58
NQO1 P15559 1/20 0.47
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NR5A1 Q13285 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACACB O00763 2/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL278571 0.84 ESR1 (0.54) MAPTTDP1LMNACYP1A2PTGS1
SCHEMBL8760147 0.83 ESR2 (0.52) LTA4HMAPTSLC6A2SLC6A3
SCHEMBL16199117 0.82 LTA4H (0.66) LTA4HNQO1AKR1C3AKR1C2MAPT
SCHEMBL24747416 0.80 LTA4H (0.68) LTA4HNQO1MAPTMAPK1TDP1
1-Hydroxy-4-Ethoxybenzene SCHEMBL28520 0.80 LTA4H (0.86) LTA4HNQO1MAPTTDP1MAOB
1-Hydroxy-4-Ethoxybenzene SCHEMBL12476725 0.80 LTA4H (0.86) LTA4HNQO1MAPTTDP1MAOB
SCHEMBL8760947 0.79 ESR1 (0.42) MAPTTDP1ACACBLMNACYP1A2
SCHEMBL28450063 0.78 ESR1 (0.48) MAPTTDP1CNR2LMNACYP1A2
SCHEMBL24747370 0.78 LTA4H (0.59) LTA4HNQO1MAPK1TDP1L3MBTL1
1-Hydroxy-4-Ethoxybenzene SCHEMBL10831800 0.78 LTA4H (0.83) LTA4HNQO1MAPTTDP1MAOB

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