SCHEMBL3454520

SCHEMBL3454520

CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCOc1ccc([S+]2CCCC2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
CNR1 P21554 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1B P28222 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL29429149 0.96 CNR1 (0.45) CNR2CNR1L3MBTL1TDP1GAA
SCHEMBL106524 0.96 CNR1 (0.45) CNR2CNR1L3MBTL1TDP1GAA
Bromide SCHEMBL2194103 0.94 CNR1 (0.44) CNR2CNR1L3MBTL1TDP1GAA
Hydrochloric Acid SCHEMBL31108778 0.94 CNR1 (0.44) CNR2CNR1L3MBTL1TDP1GAA
SCHEMBL137461 0.92 ALDH1A1 (0.45) CNR2L3MBTL1GAAALDH1A1HTT
SCHEMBL31040504 0.92 ALDH1A1 (0.45) CNR2L3MBTL1GAAALDH1A1HTT
SCHEMBL8736285 0.90 CNR1 (0.47) CNR2CNR1L3MBTL1TDP1GAA
SCHEMBL8737935 0.90 CNR1 (0.47) CNR2CNR1L3MBTL1TDP1GAA
SCHEMBL2742104 0.90 CNR1 (0.47) CNR2CNR1L3MBTL1TDP1GAA
SCHEMBL702260 0.89 CNR1 (0.44) CNR2CNR1L3MBTL1TDP1GAA

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
US-8247161-B2 Resist composition for immersion exposure, method of forming resist pattern, and fluorine-containing resin TOKYO OHKA KOGYO CO., LTD. (JP) 2012-08-21 US disclosed
US-20100143844-A1 Resist composition for immersion exposure, method of forming resist pattern, and fluorine-containing resin TOKYO OHKA KOGYO CO., LTD. (JP) 2010-06-10 US disclosed