SCHEMBL18878972

SCHEMBL18878972

CC1(C)CC(OCCOCCO)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL6681033 0.89 GAA (0.38) GAAALDH1A1
SCHEMBL133542 0.84 GAA (0.38) GAAALDH1A1
SCHEMBL29424316 0.84 GAA (0.32) GAA
SCHEMBL29424321 0.84 GAA (0.32) GAA
SCHEMBL29424313 0.84 GAA (0.32) GAA
SCHEMBL18952909 0.81 GAA (0.36) GAA
SCHEMBL18878970 0.80 ALDH1A1 (0.42) TSHRGAAALDH1A1EPHX2
SCHEMBL18952830 0.80 GAA (0.35) GAA
SCHEMBL30388782 0.79 GAA (0.34) GAA
SCHEMBL30389710 0.79 GAA (0.34) GAA

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