SCHEMBL4131111

SCHEMBL4131111

C=COCCOc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OCCOC=C)c(Br)c2)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.32
THRB P10828 4/20 0.32
KLK1 P06870 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL11174499 0.81 CA1 (0.36) THRATHRBKLK1MEN1CYP1A2
SCHEMBL11787406 0.81 KLK1 (0.36) THRATHRBKLK1MEN1CYP1A2
SCHEMBL372605 0.79 THRB (0.47) THRATHRBKLK1MEN1CYP1A2
SCHEMBL372606 0.79 THRB (0.47) THRATHRBKLK1MEN1CYP1A2
SCHEMBL10500362 0.78 CA12 (0.45) MEN1KMT2A
SCHEMBL7599115 0.78 CA12 (0.45) MEN1KMT2A
SCHEMBL4140521 0.78 HRH3 (0.39) THRATHRBKLK1MEN1CYP1A2
SCHEMBL21077306 0.78 THRB (0.34) THRATHRBKLK1HRH3
SCHEMBL483839 0.76 MCHR1 (0.43) THRATHRBKLK1MEN1KMT2A
SCHEMBL2349299 0.76 KLK1 (0.39) THRATHRBKLK1MEN1KMT2A

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-20090068569-A1 Resin composition for hologram recording material, hologram recording material, and method for producing hologram recording medium NIPPON PAINT CO., LTD. 2009-03-12 US disclosed