SCHEMBL6562645

SCHEMBL6562645

CCCOC(=O)OC1CCS(OS(=O)(=O)C(F)(F)F)(c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.35
MLNR O43193 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 3/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL6564005 0.94 L3MBTL1 (0.33) DRD3MLNRCHRM2CHRM1CHRM3
SCHEMBL6564536 0.92 NPSR1 (0.35) BCHEALDH1A1
SCHEMBL6564527 0.86 BCHE (0.34) CHRM3BCHE
SCHEMBL2675037 0.86 MLNR (0.32) DRD3MLNRCHRM2CHRM1CHRM3
SCHEMBL6564010 0.85 DRD3 (0.33) DRD3MLNRCHRM2CHRM1CHRM3
SCHEMBL6566234 0.84 BCHE (0.31) BCHE
SCHEMBL2675556 0.81 NOD2 (0.33)
SCHEMBL6564778 0.80 DRD2 (0.32) DRD3DRD2DRD1DRD4DRD5
SCHEMBL6562810 0.79
SCHEMBL2674958 0.78 KDM4E (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849634-B1 Radiation sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
US-6322949-B2 SULFONIUM COMPOUND AS PHOTOACID GENERATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-11-27 US disclosed
US-20010014427-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-08-16 US disclosed
US-6187504-B1 PHOTOSENSITIVE BLEND CONTAINING A NAPHTHALENE SULFONIUM SULFONATE DERIVATIVE PHOTOACID GENERATOR, RESIN HAVING ALKALI INSOLUBLE GROUPS CLEAVABLE BY ACID, AN ALKALI SOLUBLE RESIN AND A SOLUBILITY CONTROL AGENT; POSITIVES, RESOLUTION JSR CORPORATION (JP) 2001-02-13 US disclosed
EP-0849634-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-06-24 EP disclosed