SCHEMBL3206085

SCHEMBL3206085

CCc1cccc(CC)c1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
TP53 P04637 1/20 0.37
CLCN2 P51788 1/20 0.36
MGLL Q99685 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.33
PTGS2 P35354 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL3189010 0.82 TP53 (0.43) GABRA1GABRB2TP53MAPTL3MBTL1
SCHEMBL4618658 0.78 GABRA1 (0.38) GABRA1GABRB2TP53CLCN2MGLL
SCHEMBL3204227 0.76 GABRA1 (0.38) GABRA1GABRB2TP53CLCN2MGLL
Benzene SCHEMBL11603070 0.72 TP53 (0.56) GABRA1GABRB2TP53CLCN2MGLL
Benzene SCHEMBL3122858 0.72 TP53 (0.56) GABRA1GABRB2TP53CLCN2MGLL
SCHEMBL3183431 0.71 ALOX5 (0.32) TP53L3MBTL1
SCHEMBL3190659 0.71 TP53 (0.34) GABRA1GABRB2TP53MAPT
Benzene SCHEMBL25402370 0.70 TP53 (0.53) GABRA1GABRB2TP53CLCN2MGLL
Hydrogen Peroxide SCHEMBL10890655 0.70 GABRA1 (0.60) GABRA1GABRB2TP53CLCN2MGLL
Hydrogen Peroxide SCHEMBL11205186 0.70 GABRA1 (0.60) GABRA1GABRB2TP53CLCN2MGLL

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 7 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
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed