SCHEMBL3362985

SCHEMBL3362985

CCCCCCCCS(=O)(=O)[O-].CCCOC(=O)OC1CC[S+](c2cccc3ccccc23)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HPGD P15428 1/20 0.31
MTNR1A P48039 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 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
SCHEMBL3367546 0.97 CNR1 (0.33) CNR1CNR2KDM4EKMT2AL3MBTL1
SCHEMBL3365992 0.94 ALDH1A1 (0.35) CNR1CNR2KDM4EKMT2AL3MBTL1
SCHEMBL3365940 0.91 KDM4E (0.37) CNR1CNR2KDM4EKMT2AL3MBTL1
SCHEMBL3367541 0.89 KDM4E (0.32) CNR1CNR2KDM4EKMT2AL3MBTL1
SCHEMBL3364441 0.89 KDM4E (0.37) CNR1CNR2KDM4EKMT2AL3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL3367466 0.87 ALDH1A1 (0.32) CNR1CNR2ALDH1A1HPGD
SCHEMBL6398679 0.86 KDM4E (0.34) CNR1CNR2KDM4EKMT2AL3MBTL1
SCHEMBL6394293 0.85 KDM4E (0.37) CNR1CNR2KDM4EKMT2AL3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL3365764 0.85 CNR1 (0.32) CNR1CNR2KDM4EL3MBTL1ALDH1A1
SCHEMBL6399777 0.85 KDM4E (0.34) CNR1CNR2KDM4EKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1164434-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-10-06 EP disclosed
US-6964840-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-15 US disclosed
US-20040241580-A1 Radiation-sensitive resin composition NISHIMURA YUKIO (JP) 2004-12-02 US disclosed
US-6800414-B2 FLUOROPOLYMER JSR CORPORATION (JP) 2004-10-05 US disclosed
US-20020009668-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-01-24 US disclosed
EP-1164434-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2001-12-19 EP disclosed