SCHEMBL13640658

SCHEMBL13640658

CCC(C)C(O)OCC[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
TSHR P16473 2/20 0.36
CHRM5 P08912 6/20 0.34
CHRM1 P11229 6/20 0.34
CHRM3 P20309 6/20 0.34
CHRM2 P08172 5/20 0.34
CHRM4 P08173 5/20 0.34
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
CHRNA7 P36544 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTR1A P08908 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
PGR P06401 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL28965480 0.80 SCN1A (0.39) SCN1ASCN2ASCN3ATSHRCHRM5
SCHEMBL24292362 0.80 SCN1A (0.39) SCN1ASCN2ASCN3ATSHRCHRM5
SCHEMBL10590797 0.78 HSD17B10 (0.41) TSHRHSD17B10TDP1
SCHEMBL28761585 0.75 SCN1A (0.42) SCN1ASCN2ASCN3ATSHRCHRM5
SCHEMBL1506748 0.74 CA12 (0.34) TSHR
SCHEMBL13108354 0.74 TSHR (0.34) TSHRCYP2C19HSD17B10TDP1
SCHEMBL10592111 0.72 DNM1 (0.41)
SCHEMBL10123458 0.72
Fluoromethane SCHEMBL27938158 0.70 SCN1A (0.38) SCN1ASCN2ASCN3ATSHRCHRM5
SCHEMBL13108410 0.69 MEN1 (0.44) TSHRMAPTMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9086643-B2 Ionic electro-conductive resin and electro-conductive member for electrophotography CANON KABUSHIKI KAISHA (JP) 2015-07-21 US disclosed
US-20120281998-A1 IONIC ELECTRO-CONDUCTIVE RESIN AND ELECTRO-CONDUCTIVE MEMBER FOR ELECTROPHOTOGRAPHY CANON KABUSHIKI KAISHA (JP) 2012-11-08 US disclosed