SCHEMBL3152160

SCHEMBL3152160

COc1ccc(C(N)(c2ccc(OC)cc2)c2ccc(OC)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
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
ACHE P22303 1/20 0.48
AOC3 Q16853 1/20 0.46
APP P05067 1/20 0.44
KIF11 P52732 1/20 0.44
KCNH2 Q12809 1/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 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
SCHEMBL113271 0.91 KCNN4 (0.61) CA1CA2CA7CA9CA12
Triphenylmethanamine SCHEMBL14120500 0.91 KCNN4 (0.61) CA1CA2CA7CA9CA12
SCHEMBL1271654 0.91 KCNN4 (0.61) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL20241920 0.89 KCNN4 (0.58) CA1CA2CA7CA9CA12
SCHEMBL7043985 0.82 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL3799108 0.82 CA1 (0.55) CA1CA2CA7CA9CA12
Iodide SCHEMBL25236331 0.80 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL18543505 0.80 CA1 (0.52) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL20766163 0.80 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL1465852 0.78 CA1 (0.50) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184934-A1 POLYROTAXANE HAVING MAIN CHAIN BACKBONE ESSENTIALLY COMPOSED OF -Si-O- AND METHOD FOR PRODUCING THE SAME, AND CROSSLINKED POLYROTAXANE OBTAINED BY CROSSLINKING THE POLYROTAXANE AND METHOD FOR PRODUCING THE SAME THE UNIVERSITY OF TOKYO (JP) 2010-07-22 US disclosed
US-20100184934-A1 POLYROTAXANE HAVING MAIN CHAIN BACKBONE ESSENTIALLY COMPOSED OF -Si-O- AND METHOD FOR PRODUCING THE SAME, AND CROSSLINKED POLYROTAXANE OBTAINED BY CROSSLINKING THE POLYROTAXANE AND METHOD FOR PRODUCING THE SAME THE UNIVERSITY OF TOKYO (JP) 2010-07-22 US disclosed
EP-2159250-A1 POLYROTAXANE HAVING MAIN CHAIN BACKBONE ESSENTIALLY COMPOSED OF -Si-O- AND METHOD FOR PRODUCING THE SAME, AND CROSSLINKED POLYROTAXANE OBTAINED BY CROSSLINKING THE POLYROTAXANE AND METHOD FOR PRODUCING THE SAME The University of Tokyo (JP) 2010-03-03 EP disclosed
EP-2159250-A1 POLYROTAXANE HAVING MAIN CHAIN BACKBONE ESSENTIALLY COMPOSED OF -Si-O- AND METHOD FOR PRODUCING THE SAME, AND CROSSLINKED POLYROTAXANE OBTAINED BY CROSSLINKING THE POLYROTAXANE AND METHOD FOR PRODUCING THE SAME The University of Tokyo (JP) 2010-03-03 EP disclosed