SCHEMBL4899531

SCHEMBL4899531

OCCOCC[N+]12CC[N+](CCOCCO)(CC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
CHRM3 P20309 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL4903030 0.84 TSHR (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL4899113 0.84 TSHR (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL4906042 0.79 TSHR (0.53) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL4905027 0.75 TSHR (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL2410410 0.72 TSHR (1.00) TSHRMAPK1MEN1KMT2AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL1462 0.72
SCHEMBL4900924 0.70 PTK2 (0.48)
Di(Hydroxyethyl)Ether SCHEMBL7805707 0.70 TSHR (0.77) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL4092706 0.69 MEN1 (1.00) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL5145873 0.69 MEN1 (1.00) TSHRMAPK1MEN1KMT2AALDH1A1

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-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed