SCHEMBL18878970

SCHEMBL18878970

CC(=O)OCCOCCOC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 3/20 0.37
EPHX2 P34913 1/20 0.33
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 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
SCHEMBL18878972 0.80 MEN1 (0.39) ALDH1A1TSHRGAAEPHX2
SCHEMBL17250051 0.80 THRB (0.44) ALDH1A1TSHRGAA
SCHEMBL133542 0.79 GAA (0.38) ALDH1A1GAA
SCHEMBL12544894 0.79 ALDH1A1 (0.40) ALDH1A1TSHREPHX2
SCHEMBL29424321 0.78 GAA (0.32) GAA
SCHEMBL29424316 0.78 GAA (0.32) GAA
SCHEMBL29424313 0.78 GAA (0.32) GAA
Acetic Acid SCHEMBL988660 0.76 GAA (0.43) ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL2549814 0.73 GAA (0.44) TSHRGAA
SCHEMBL30772048 0.73 ALDH1A1 (0.33) ALDH1A1TSHR

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
EP-2716666-B1 CURING COMPOSITION AND POLYMER MITSUBISHI CHEM CORP (JP) 2017-11-15 EP disclosed
US-20170198076-A1 CURABLE COMPOSITION AND POLYMER MITSUBISHI RAYON CO., LTD. (JP) 2017-07-13 US disclosed
US-9663603-B2 Curable composition and polymer MITSUBISHI RAYON CO., LTD. (JP) 2017-05-30 US disclosed