SCHEMBL2554563

SCHEMBL2554563

CCCCc1ccccc1SN

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.43
TLR8 Q9NR97 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TYR P14679 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYSLTR2 Q9NS75 5/20 0.36
CYSLTR1 Q9Y271 5/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL4381566 0.84 LIPG (0.43) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL1576764 0.83 LIPG (0.46) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL942954 0.83 APOBEC3G (0.50) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL30502989 0.83 APOBEC3G (0.41) CYP3A4CYP2C9
SCHEMBL31404018 0.82 APOBEC3G (0.48) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL17707753 0.80 LIPG (0.43) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL9978335 0.80 LIPG (0.43) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL26428730 0.79 GABRA1 (0.41)
SCHEMBL10751421 0.78 LIPG (0.42) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL28006182 0.78 LIPG (0.42) LIPGTLR8CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011127339-A1 GROUP 4 TRANSITION METAL COMPLEX WITH A MONOANIONIC LIGAND AND OLEFIN POLYMERIZATION CATALYST COMPRISING THE SAME EQUISTAR CHEMICALS, LP (US) 2011-10-13 WO disclosed
JP-2003026627-A NEW METHOD FOR CATALYTIC OXIDATION OF ALCOHOL TOKYO KASEI KOGYO KK 2003-01-29 JP disclosed