SCHEMBL3195183

SCHEMBL3195183

COS(c1ccccc1)(c1ccccc1)c1ccc(C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA7 P43166 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
STAT3 P40763 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL12468804 0.82 CA12 (0.54) CA12CA1CA14CA2CA9
SCHEMBL9947578 0.81 CA12 (0.41) CA12CA1CA14CA2CA9
SCHEMBL3189653 0.80 ALOX15 (0.37) CA12CA1CA14CA2CA9
SCHEMBL3206672 0.80 STAT3 (0.43) CA12CA1CA14CA2CA9
SCHEMBL3194042 0.80 CA12 (0.39) CA12CA1CA14CA2CA9
SCHEMBL3181652 0.78 ALDH1A1 (0.43) CA12CA1CA14CA2CA9
SCHEMBL3181627 0.77 GRM6 (0.38) CA12CA1CA14CA2CA9
SCHEMBL4605487 0.75 CA2 (0.44) CA12CA1CA14CA2CA9
SCHEMBL4605140 0.75 CA2 (0.44) CA12CA1CA14CA2CA9
SCHEMBL4605457 0.75 CA2 (0.44) CA12CA1CA14CA2CA9

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