SCHEMBL6050185

SCHEMBL6050185

C=CCOC(=O)/C(C)=C/CC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
PTP4A3 O75365 2/20 0.32
PTP4A1 Q93096 2/20 0.32
PTP4A2 Q12974 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
GLO1 Q04760 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL410007 1.00 TSHR (0.42) TSHRCYP3A4CYP2D6CYP2C19TDP1
SCHEMBL10764198 0.85 TSHR (0.43) TSHRCYP3A4CYP2D6CYP2C19TDP1
SCHEMBL666513 0.84 CYP3A4 (0.40) TSHRCYP3A4CYP2D6CYP2C19TDP1
SCHEMBL17311783 0.84 TSHR (0.38) TSHRCYP3A4CYP2D6CYP2C19TDP1
SCHEMBL5696068 0.84 TSHR (0.38) TSHRCYP3A4CYP2D6CYP2C19TDP1
SCHEMBL5983748 0.84 CYP3A4 (0.40) TSHRCYP3A4CYP2D6CYP2C19TDP1
Ammonia Solution, Strong SCHEMBL7152100 0.82 CYP3A4 (0.39) TSHRCYP3A4CYP2D6CYP2C19TDP1
SCHEMBL9149500 0.82 TSHR (0.49) TSHRCYP3A4CYP2D6CYP2C19TDP1
SCHEMBL8971288 0.82 TSHR (0.49) TSHRCYP3A4CYP2D6CYP2C19TDP1
SCHEMBL21377600 0.82 TSHR (0.43) TSHRCYP3A4CYP2D6TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114540120-A Mixed fruit flavor compound and blackcurrant perfume essence 东莞波顿香料有限公司 2022-05-27 CN disclosed
CN-114540120-A Mixed fruit flavor compound and blackcurrant perfume essence 东莞波顿香料有限公司 2022-05-27 CN disclosed
US-7019068-B2 Polymer compositions comprising telomers and articles or parts using these compositions SOLVAY (SOCIETE ANONYME) (BE) 2006-03-28 US disclosed
EP-1368422-B1 POLYMER COMPOSITIONS COMPRISING TELOMERS AND ARTICLES OR PARTS USING THESE COMPOSITIONS SOLVAY (BE) 2005-08-24 EP disclosed
US-20040097625-A1 Polymer compositions comprising telomers and articles or parts using these compositions SOLVAY (SOCIETE ANONYME) (BE) 2004-05-20 US disclosed
EP-1368422-A1 POLYMER COMPOSITIONS COMPRISING TELOMERS AND ARTICLES OR PARTS USING THESE COMPOSITIONS SOLVAY (SOCIETE ANONYME) (BE) 2003-12-10 EP disclosed
WO-2002057351-A1 POLYMER COMPOSITIONS COMPRISING TELOMERS AND ARTICLES OR PARTS USING THESE COMPOSITIONS Solvay (Société Anonyme) (BE) 2002-07-25 WO disclosed