SCHEMBL3203357

SCHEMBL3203357

COc1ccc(OC(C)(C)C)cc1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
NQO1 P15559 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 2/20 0.32
ALOX12 P18054 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL3193129 0.91 KIF11 (0.40) KIF11
SCHEMBL3182804 0.88 KIF11 (0.38) KIF11NQO1CA12CA1CA2
SCHEMBL3192177 0.88 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL3203135 0.85 CA12 (0.48) NQO1CA12CA1CA2CA7
SCHEMBL8920726 0.81 ALDH1A1 (0.39) KIF11NQO1CA12CA1CA2
SCHEMBL3182794 0.81 KIF11 (0.40) KIF11
SCHEMBL3195056 0.81 KIF11 (0.40) KIF11
SCHEMBL3190410 0.80 KIF11 (0.39) KIF11ALDH1A1L3MBTL1HTTLMNA
SCHEMBL3201005 0.79 CYP1A2 (0.38) CA12CA1CA2CA7CA9
SCHEMBL3189956 0.78 KIF11 (0.40) KIF11GAA

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