SCHEMBL13857076

SCHEMBL13857076

CCOC(=O)c1ccc(C(Oc2ccc(C(c3ccc(OC(c4ccc(C(=O)OCC)cc4)c4ccc(C(=O)OCC)cc4)cc3)C(c3ccc(OC(c4ccc(C(=O)OCC)cc4)c4ccc(C(=O)OCC)cc4)cc3)c3ccc(OC(c4ccc(C(=O)OCC)cc4)c4ccc(C(=O)OCC)cc4)cc3)cc2)c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
STS P08842 1/20 0.50
HPGD P15428 4/20 0.45
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL13857077 0.91 CA12 (0.51) CA1CA2CA12CA7CA9
SCHEMBL119521 0.88 SRD5A2 (0.59) CA1CA2CA12CA7CA9
SCHEMBL1663838 0.88 CA12 (0.54) CA1CA2CA12CA7CA9
SCHEMBL828579 0.87 CA1 (0.66) CA1CA2CA12CA7CA9
SCHEMBL982169 0.79 CA12 (0.59) CA1CA2CA12CA7CA9
SCHEMBL29504635 0.78 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL15864834 0.78 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL21469937 0.77 MAPT (0.51) CA1CA2CA12CA7CA9
SCHEMBL6776705 0.76 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL31664440 0.76 CA12 (0.56) CA1CA2CA12CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436103-B2 Star polymer and method of producing the same NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
US-8436103-B2 Star polymer and method of producing the same NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
US-20090118436-A1 Star Polymer and Method of Producing the Same NIPPON SODA CO., LTD. (JP) 2009-05-07 US disclosed