SCHEMBL1663286

SCHEMBL1663286

CCOC(=O)c1ccc(C(CBr)c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA12 O43570 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 4/20 0.50
HTT P42858 2/20 0.50
CASR P41180 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49

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
SCHEMBL10899546 0.85 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL4642692 0.82 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL10609204 0.82 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL6160959 0.82 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL828579 0.82 CA1 (0.66) CA1CA2CA12CA7CA9
Terephthalic Acid SCHEMBL28214246 0.81 CA1 (0.70) CA1CA2CA12CA7CA9
SCHEMBL27063 0.81 CA1 (0.70) CA1CA2CA12CA7CA9
Terephthalic Acid SCHEMBL28214245 0.81 CA1 (0.70) CA1CA2CA12CA7CA9
Benzene SCHEMBL27873122 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL87450 0.81 CA1 (0.83) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923418-B1 STAR POLYMER AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO (JP) 2016-11-09 EP disclosed
EP-2311900-B1 Star polymer and method for producing the same NIPPON SODA CO (JP) 2015-03-11 EP disclosed
US-8436103-B2 Star polymer and method of producing the same NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
EP-2311900-A1 Star polymer and method for producing the same Nippon Soda Co., Ltd. (JP) 2011-04-20 EP disclosed
US-20090118436-A1 Star Polymer and Method of Producing the Same NIPPON SODA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1923418-A1 STAR POLYMER AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO., LTD. (JP) 2008-05-21 EP disclosed