SCHEMBL3199523

SCHEMBL3199523

COc1cccc([S+](c2ccccc2)c2ccccc2)c1OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
NFE2L2 Q16236 1/20 0.36
CA4 P22748 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.34
HTR6 P50406 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32

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) ALDH1A1KDM4EHSD17B10
SCHEMBL3200916 0.88 NFE2L2 (0.33) CA1CA2CA7CA9CA12
SCHEMBL3191907 0.85 NFE2L2 (0.45) CA1CA2CA7CA9CA12
SCHEMBL3195572 0.81 SCN4A (0.32) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3197636 0.79 ALDH1A1 (0.36) CA1CA2ALDH1A1TSHRTDP1
SCHEMBL3197431 0.78 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL3193986 0.78 KCNH2 (0.33) ALDH1A1TDP1MAPTL3MBTL1MAPK1
SCHEMBL2090403 0.77 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL31005134 0.77 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL3190242 0.76 HPGD (0.39) SMN1; SMN2ALDH1A1TSHRTDP1LMNA

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