SCHEMBL11512424

SCHEMBL11512424

CCCCCCC(CCCC(C)CC(C)C)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NAAA Q02083 1/20 0.35
CSNK1E P49674 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
POLB P06746 1/20 0.34
CNR2 P34972 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL19284306 0.88 TSHR (0.46) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL3643218 0.88 TSHR (0.46) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL983633 0.88 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL983333 0.88 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL981726 0.88 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL984167 0.88 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL983265 0.88 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL982098 0.88 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL984155 0.88 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL983520 0.88 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147663-A Oxidative coupling of alkylphenols, alkoxyphenols and naphthols catalyzed by metal complexes of amino carboxylic and amino sulfonic acids ICI AMERICAS INC. (US) 1979-04-03 US disclosed
US-4130504-A COPPER COMPOUND, ANIONIC SURFACTANT, ALKALINE MATERIAL AS CATALYST ICI AMERICAS INC. (US) 1978-12-19 US disclosed
US-4070383-A COPPER COMPOUND-ANIONIC SURFACTANT-ALKALI METAL COMPOUND CATALYST SYSTEM ICI AMERICAS INC. (US) 1978-01-24 US disclosed
US-4067890-A Oxidative coupling of alkylphenols, alkoxyphenols and naphthols catalyzed by metal complexes of amino carboxylic and amino sulfonic acids ICI AMERICA INC. (US) 1978-01-10 US disclosed
US-4065434-A Method of preparing high molecular weight polyphenoxy ethers from alkyl phenols ICI AMERICAS INC. (US) 1977-12-27 US disclosed