SCHEMBL8760897

SCHEMBL8760897

CC(C)COc1ccc(C(C)(CC(C)C)c2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.44
PTGS1 P23219 1/20 0.44
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
XBP1 P17861 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
HIF1A Q16665 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD1 P21728 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
SCHEMBL8760077 0.88 LTA4H (0.54) HPGDLTA4HESR1CYP3A4ESR2
SCHEMBL24119613 0.85 HPGD (0.55) SLC6A2PTGS1MAPTHPGDPOLB
SCHEMBL8760889 0.85 LTA4H (0.57) LTA4HESR1ESR2GAANR5A1
SCHEMBL52004 0.85 ESR1 (0.50) SLC6A2HPGDMEN1KMT2ASLC6A4
SCHEMBL8761434 0.84 ESR2 (0.48) SLC6A2MAPTHPGDMEN1KMT2A
SCHEMBL3173896 0.83 SLC6A2 (0.58) SLC6A2PTGS1MAPTHPGDPOLB
SCHEMBL8761103 0.83 KDM4E (0.40) SLC6A2HPGDMEN1KMT2ASLC6A4
SCHEMBL18773750 0.81 NR5A1 (0.65) MAPTLTA4HLMNATSHRHSD17B10
SCHEMBL8374002 0.80 ESR1 (0.53) SLC6A2HPGDMEN1KMT2ASLC6A4
SCHEMBL26302544 0.79 SLC6A2 (0.33) SLC6A2PTGS1HPGDSLC6A4SLC6A3

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