SCHEMBL4899113

SCHEMBL4899113

OCCOCC[N+]12CCC(CC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
CHKA P35790 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4899531 0.84 TSHR (0.53) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL4905061 0.77 CHRNA7 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4906507 0.76 CHKA (0.42) TSHRMAPK1MEN1KMT2ACHKA
SCHEMBL4903030 0.75 TSHR (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
Bromide SCHEMBL18954261 0.75 PTK2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4906042 0.70 TSHR (0.53) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL4905027 0.67 TSHR (0.48) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL7263081 0.66 CHRNA7 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27384300 0.66 CHRNA7 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4903990 0.66 CHRNA7 (0.38) CHRNA7CHKA

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