SCHEMBL11005331

SCHEMBL11005331

CCCCCCCCCC1(C)Oc2ccc(O)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TYR P14679 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 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
SCHEMBL11009667 1.00 TP53 (0.41) TP53CYP3A4ALOX15TYRHTT
SCHEMBL11005595 1.00 TP53 (0.41) TP53CYP3A4ALOX15TYRHTT
SCHEMBL11001796 0.94 OPRM1 (0.40) TP53CYP3A4ALOX15TYRHTT
SCHEMBL11004077 0.80 ALDH1A1 (0.39) CYP3A4HTTMEN1MAPTKMT2A
SCHEMBL11001228 0.80 PTGS1 (0.44) CYP3A4ALOX15MAPTTSHRKMT2A
SCHEMBL11005383 0.80 ALDH1A1 (0.39) CYP3A4HTTMEN1MAPTKMT2A
SCHEMBL11005871 0.80 ALDH1A1 (0.39) CYP3A4HTTMEN1MAPTKMT2A
SCHEMBL11004277 0.78 ALDH1A1 (0.40) CYP3A4HTTMEN1MAPTKMT2A
SCHEMBL11005275 0.77 ALOX5 (0.40) HTTMEN1ALOX5MAPTKMT2A
SCHEMBL11008518 0.77 ALOX5 (0.40) HTTMEN1ALOX5MAPTKMT2A

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-4499115-A FOR FOODS UNISEARCH LIMITED (AU) 1985-02-12 US disclosed