SCHEMBL4986259

SCHEMBL4986259

CC(C)(ON1C(C)(C)CC(O)CC1(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CHRM3 P20309 8/20 0.32
GAA P10253 1/20 0.31
CYP2B6 P20813 1/20 0.31
CHRM2 P08172 3/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL12544321 0.81 TSHR (0.62) ALDH1A1ALOX15MAPK1TSHRKMT2A
SCHEMBL10464829 0.79 TSHR (0.67) ALDH1A1TSHRKMT2AESR1CHRM3
SCHEMBL4982858 0.79 MAPK1 (0.44) ALDH1A1ALOX15MAPK1TSHRKMT2A
SCHEMBL12556878 0.77 TSHR (0.51) ALDH1A1ALOX15TSHRKMT2ACYP3A4
SCHEMBL7470898 0.76 GAA (0.46) ALDH1A1TSHRKMT2ACYP3A4ESR1
SCHEMBL9040920 0.75 GAA (0.32) GAA
SCHEMBL13008873 0.74 SLC6A2 (0.38) ALOX15MAPK1TSHRKMT2ACHRM3
SCHEMBL7473648 0.74 GAA (0.31) GAA
SCHEMBL6809943 0.72 KMT2A (0.37) ALOX15TSHRKMT2A
SCHEMBL12589187 0.71 ALDH1A1 (0.37) ALDH1A1TSHRKMT2A

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-7388052-B2 Process for the preparation of block copolymers POLIMERI EUROPA S.P.A. (IT) 2008-06-17 US disclosed
EP-1519970-B1 PROCESS FOR THE PREPARATION OF BLOCK COPOLYMERS POLIMERI EUROPA SPA (IT) 2007-10-24 EP disclosed
US-20070219329-A1 polymerizing styrene using a nitroxy free radical catalyst, then adding methacrylonitrile; 2-methyl-2-(2,2,6,6-tetramethylpiperidin-1-yloxy)propionitrile catalyst; POLIMERI EUROPA S.P.A. (IT) 2007-09-20 US disclosed