SCHEMBL5488522

SCHEMBL5488522

CCCCCc1ccc(C)c(O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.61
ALOX5 P09917 6/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGS2 P35354 5/20 0.45
LIPG Q9Y5X9 1/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 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
SCHEMBL1006002 0.94 TYR (0.53) TYRALOX5TP53CYP3A4MEN1
SCHEMBL5677856 0.86 TYR (0.62) TYRALOX5TP53CYP3A4MEN1
SCHEMBL7631085 0.86 HTR1D (0.44) TYRALOX5CYP3A4TSHRALDH1A1
SCHEMBL5678186 0.85 TYR (0.71) TYRALOX5TP53CYP3A4MEN1
SCHEMBL5680424 0.85 TYR (0.66) TYRALOX5TP53CYP3A4MEN1
SCHEMBL10932407 0.83 TYR (0.59) TYRALOX5TP53CYP3A4MEN1
SCHEMBL11698312 0.83 TYR (0.74) TYRALOX5TP53CYP3A4MEN1
SCHEMBL27842379 0.83 TYR (0.74) TYRALOX5TP53CYP3A4MEN1
SCHEMBL2774201 0.83 TYR (0.59) TYRALOX5TP53CYP3A4MEN1
Hexane SCHEMBL11772099 0.81 TYR (0.57) TYRALOX5TP53CYP3A4MEN1

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-20070123571-A1 Use of a compound in the treatment of sleep disorders BOOTS HEALTHCARE INTERNATIONAL LIMITED (GB) 2007-05-31 US disclosed