SCHEMBL3200916

SCHEMBL3200916

COc1c(OC(C)(C)C)cccc1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3189261 0.90 KCNH2 (0.33) KCNH2KDM4EALDH1A1
SCHEMBL3199523 0.88 CA1 (0.36) NFE2L2CA12CA1CA2CA4
SCHEMBL3191907 0.85 NFE2L2 (0.45) NFE2L2CA12CA1CA2CA4
SCHEMBL3193986 0.81 KCNH2 (0.33) KCNH2KDM4EALDH1A1MAPK1
SCHEMBL3203429 0.79 KDM4E (0.33) CA2KCNH2KDM4EALDH1A1MAPK1
SCHEMBL3197431 0.78 CA1 (0.39) NFE2L2CA12CA1CA2CA4
SCHEMBL3195572 0.78 SCN4A (0.32) ALDH1A1SMN1; SMN2
SCHEMBL3189196 0.76 POLB (0.40) SMN1; SMN2
SCHEMBL3183450 0.76 MAPT (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3191773 0.76 KCNH2 (0.36) CA12CA1CA2CA4CA7

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