SCHEMBL9947578

SCHEMBL9947578

COS(c1ccccc1)(c1ccccc1)c1cc(C(=O)OC(C)(C)C)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
STAT3 P40763 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
SLC7A5 Q01650 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.36
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL3181652 0.90 ALDH1A1 (0.43) CA12CA1CA2CA9CA14
SCHEMBL12468804 0.83 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL3194042 0.83 CA12 (0.39) CA12CA1CA2CA9CA14
SCHEMBL3195183 0.81 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL3206672 0.81 STAT3 (0.43) CA12CA1CA2CA9CA14
SCHEMBL3189653 0.78 ALOX15 (0.37) CA12CA1CA2CA9CA14
SCHEMBL3181627 0.77 GRM6 (0.38) CA12CA1CA2CA9CA14
Cesium SCHEMBL4605554 0.75 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL4604647 0.75 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL4603515 0.75 CA12 (0.47) CA12CA1CA2CA9CA14

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 1 patent. 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