SCHEMBL8400481

SCHEMBL8400481

Cc1ccc(CCCCCCCCCCc2ccc(C)cc2O)c(O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 6/20 0.58
ALOX15 P16050 3/20 0.58
TP53 P04637 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX5 P09917 1/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
TRPA1 O75762 2/20 0.50
IGF1R P08069 1/20 0.46
AMY1A P0DUB6 1/20 0.42
ESR1 P03372 1/20 0.42
CYP19A1 P11511 1/20 0.42
ESR2 Q92731 1/20 0.42
LMNA P02545 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL28858657 0.93 TYR (0.53) TYRALOX15TP53TDP1MEN1
SCHEMBL574033 0.92 TYR (0.51) TYRALOX15TP53TDP1MEN1
SCHEMBL9504248 0.92 TYR (0.71) TYRALOX15TP53TDP1MEN1
SCHEMBL8590686 0.92 TYR (0.71) TYRALOX15TP53TDP1MEN1
SCHEMBL8402868 0.92 TYR (0.71) TYRALOX15TP53TDP1MEN1
SCHEMBL3358965 0.92 TYR (0.71) TYRALOX15TP53TDP1MEN1
SCHEMBL1272901 0.91 TYR (0.50) TYRALOX15TP53TDP1MEN1
Amylmetacresol SCHEMBL29897625 0.90 TYR (0.68) TYRALOX15TP53TDP1MEN1
Amylmetacresol SCHEMBL302197 0.90 TYR (0.68) TYRALOX15TP53TDP1MEN1
SCHEMBL10914582 0.88 TYR (0.48) TYRALOX15TP53TDP1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859067-A PREPARING BIS(2-HYDROXY-1-NAPHTHYL)DECANE FROM THE CORRESPONDING DIACID; FORMING ACID DICHLORIDE; TREATING WITH 2-NAPHTHOL; REARRANGEMENT; REDUCTION; INHIBITS ACTION OF ADENOSINE TRIPHOSPHATASE ROUFOGALIS BASIL DON (AU) 1999-01-12 US disclosed
US-5741821-A PHENOLIC ENZYME INHIBITORS THE UNIVERSITY OF SYDNEY (AU) 1998-04-21 US disclosed
WO-1994028886-A1 USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE THE UNIVERSITY OF SYDNEY (AU) 1994-12-22 WO disclosed