SCHEMBL3199660

SCHEMBL3199660

CC(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CYSLTR2 Q9NS75 6/20 0.36
CYSLTR1 Q9Y271 6/20 0.36
HTR2A P28223 1/20 0.34
BID P55957 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BAK1 Q16611 1/20 0.34

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
SCHEMBL452373 0.91 LIPG (0.45) LIPGCYSLTR2CYSLTR1BIDBCL2L1
SCHEMBL3188960 0.87 LIPG (0.40) LIPGCYSLTR2CYSLTR1BIDBCL2L1
SCHEMBL3192187 0.86 LIPG (0.40) LIPGBIDBCL2L1MCL1BAK1
SCHEMBL2896010 0.86 LIPG (0.43) LIPGCYSLTR2CYSLTR1BIDBCL2L1
SCHEMBL450362 0.85 LIPG (0.39) LIPGBIDBCL2L1MCL1BAK1
SCHEMBL3190576 0.84 MMP2 (0.41) LIPG
SCHEMBL2901078 0.84 LIPG (0.38) LIPGCYSLTR2CYSLTR1BIDBCL2L1
SCHEMBL3987886 0.83 LIPG (0.50) LIPGCYSLTR2CYSLTR1BIDBCL2L1
SCHEMBL5443786 0.82 LIPG (0.40) LIPGBIDBCL2L1MCL1BAK1
SCHEMBL2895614 0.82 LIPG (0.36) LIPGBIDBCL2L1MCL1BAK1

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
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed