SCHEMBL3206672

SCHEMBL3206672

COS(c1ccccc1)(c1ccccc1)c1cc(C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 5/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TMPRSS6 Q8IU80 3/20 0.36

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
SCHEMBL12468804 0.88 CA12 (0.54) STAT3CA12CA1CA2CA9
SCHEMBL3194042 0.85 CA12 (0.39) STAT3CA12CA1CA2CA9
SCHEMBL9947578 0.81 CA12 (0.41) STAT3CA12CA1CA2CA9
SCHEMBL3181652 0.81 ALDH1A1 (0.43) STAT3CA12CA1CA2CA9
SCHEMBL3195183 0.80 CA12 (0.37) STAT3CA12CA1CA2CA9
SCHEMBL3189653 0.77 ALOX15 (0.37) STAT3CA12CA1CA2CA9
SCHEMBL7058435 0.75 CA12 (0.47) STAT3CA12CA1CA2CA9
Hydrogen Peroxide SCHEMBL27146001 0.73 SLC7A5 (0.60) STAT3CA12CA1CA2CA9
SCHEMBL3181627 0.73 GRM6 (0.38) STAT3CA12CA1CA2CA9
SCHEMBL260960 0.73 TDP1 (0.64) STAT3CA12CA1CA2CA9

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