SCHEMBL3189653

SCHEMBL3189653

COS(c1ccccc1)(c1ccccc1)c1c(C(=O)OC(C)(C)C)cccc1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA5A P35218 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM6 O15303 1/20 0.35
NR1H2 P55055 2/20 0.34
SLC7A5 Q01650 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3194042 0.87 CA12 (0.39) ALDH1A1LMNASTAT3CA1CA2
SCHEMBL3181627 0.85 GRM6 (0.38) ALOX15ALDH1A1LMNASTAT3CA1
SCHEMBL3195183 0.80 CA12 (0.37) ALDH1A1LMNASTAT3CA1CA2
SCHEMBL12468804 0.79 CA12 (0.54) ALDH1A1LMNASTAT3CA1CA2
SCHEMBL3181652 0.78 ALDH1A1 (0.43) ALOX15ALDH1A1LMNASTAT3CA1
SCHEMBL9947578 0.78 CA12 (0.41) ALDH1A1STAT3CA1CA2CA9
Hydrogen Peroxide SCHEMBL29048859 0.77 TSHR (0.48) ALOX15ALDH1A1LMNAADRA1AADRA1B
SCHEMBL3206672 0.77 STAT3 (0.43) ALDH1A1LMNASTAT3CA1CA2
SCHEMBL109178 0.75 TSHR (0.50) ALDH1A1LMNACA1CA2CA9
SCHEMBL30111657 0.75 TSHR (0.50) ALDH1A1LMNACA1CA2CA9

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