SCHEMBL2363443

SCHEMBL2363443

C=C(C)C(=O)OP(=O)(OCC=O)OCC[N+](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
HTR1A P08908 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 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
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
GALR3 O60755 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA1A P35348 2/20 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
SCHEMBL2355170 0.85 LMNA (0.37) SMN1; SMN2ADRA1ALMNAESR1ADORA3
SCHEMBL25398870 0.84 SMN1; SMN2 (0.39) CHRM5CHRM1CHRM3SMN1; SMN2CHRM2
SCHEMBL9126420 0.79 CHRM5 (0.35) CHRM5CHRM1CHRM3SMN1; SMN2CHRM2
SCHEMBL819118 0.76 CHRM5 (0.40) CHRM5CHRM1CHRM3SMN1; SMN2CHRM2
SCHEMBL27730736 0.75 TSHR (0.33) CHRM5CHRM1CHRM3SMN1; SMN2CHRM2
SCHEMBL27991507 0.75 TSHR (0.36) CHRM5CHRM1CHRM3SMN1; SMN2CHRM2
SCHEMBL3524266 0.75 SMN1; SMN2 (0.48) CHRM5CHRM1CHRM3SMN1; SMN2CHRM2
SCHEMBL361873 0.74 CHRM5 (0.38) CHRM5CHRM1CHRM3SMN1; SMN2CHRM2
SCHEMBL9125925 0.73 THRB (0.35) TSHR
SCHEMBL263602 0.72 BTN3A1 (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846010-B1 EXTERNAL SKIN AGENT COMPRISING MODIFIED CLAY FOR PREVENTING INFLAMMATION POLA CHEM IND INC (JP) 2011-08-03 EP claimed
EP-2497803-B1 AQUEOUS INK FOR INKJET AND INKJET RECORDING METHOD KONICA MINOLTA HOLDINGS INC (JP) 2016-08-17 EP disclosed
EP-3008113-A1 POLYDENDRONS The University of Liverpool (GB) 2016-04-20 EP disclosed
US-8960883-B2 Aqueous ink for inkjet and inkjet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2015-02-24 US disclosed
WO-2014199175-A1 POLYDENDRONS THE UNIVERSITY OF LIVERPOOL (GB) 2014-12-18 WO disclosed
EP-2497803-A1 AQUEOUS INK FOR INKJET AND INKJET RECORDING METHOD Konica Minolta Holdings, Inc. (JP) 2012-09-12 EP disclosed
US-20120218342-A1 AQUEOUS INK FOR INKJET AND INKJET RECORDING METHOD KONICA MINOLTA HOLDINGS, INC. (JP) 2012-08-30 US disclosed