SCHEMBL4903817

SCHEMBL4903817

c1ccc([N+]23CC[N+](c4ccccc4)(CC2)CC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CHRNB2 P17787 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRNB4 P30926 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3A P31941 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL4898465 0.81 CHRNA3 (0.48) CHRNA3CHRNA4CYP3A4ALOX15CHRNB2
SCHEMBL4898459 0.81 CHRNA7 (0.33) CHRNA3CHRNA4CHRNB2CHRNA7CHRNB4
SCHEMBL19579581 0.81
SCHEMBL4893829 0.73 CYP1A2 (0.35) ALDH1A1CHRNA3CHRNA4CYP3A4ALOX15
SCHEMBL15282149 0.73 CYP1A2 (0.35) ALDH1A1CHRNA3CHRNA4CYP3A4ALOX15
SCHEMBL4899672 0.69 LMNA (0.39) ALDH1A1CHRNA3CHRNA4CYP3A4ALOX15
SCHEMBL1641599 0.68
SCHEMBL1618360 0.67 PABPC1 (0.38) ALDH1A1CHRNA3CHRNA4CHRNB2CHRNA7
SCHEMBL1616696 0.67 PABPC1 (0.38) ALDH1A1CHRNA3CHRNA4CHRNB2CHRNA7
SCHEMBL11696766 0.67 ALDH1A1 (0.33) ALDH1A1TSHRCA1CA2CA9

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