SCHEMBL16709774

SCHEMBL16709774

CC(OCC1CO1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.44
CHRM4 P08173 6/20 0.44
CHRM5 P08912 6/20 0.44
CHRM1 P11229 6/20 0.44
CHRM3 P20309 5/20 0.44
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SLC6A4 P31645 1/20 0.39
GLA P06280 1/20 0.39
CHRNA7 P36544 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16709681 0.89 SLC6A4 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16709765 0.88 TDP1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9235403 0.86 TDP1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16709687 0.82 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12202111 0.77 ALDH1A1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2476049 0.77 ALDH1A1 (0.37) CHRM2CHRM1TDP1ALDH1A1SLC6A4
SCHEMBL19896468 0.76 TDP1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9099230 0.75 TDP1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2058774 0.74 ALDH1A1 (0.35) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL16709689 0.72 ALDH1A1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015068839-A1 POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL 新日鉄住金化学株式会社 2015-05-14 WO disclosed