SCHEMBL17076293

SCHEMBL17076293

C=CC(=O)OC(C)CC(C[N+](C)(C)C)OP(=O)([O-])O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
TBXA2R P21731 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 1/20 0.33
CYP2C9 P11712 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL28128461 0.89 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17076330 0.86 MEN1 (0.34) TSHRLMNAMAPTMEN1KMT2A
SCHEMBL14988988 0.82 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1260408 0.77 TSHR (0.37) TSHRMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL2946080 0.75 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL65990 0.74 MEN1 (0.33) TSHRLMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1238012 0.73 MAPT (0.60) TSHRCHRM2CHRM4CHRM1TBXA2R
Bromide SCHEMBL28073958 0.73 TSHR (0.57) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28012920 0.72 TSHR (0.39) TSHR
SCHEMBL1370014 0.71 SMN1; SMN2 (0.42) LMNAMAPTMEN1KMT2ASMN1; SMN2

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-9434858-B2 Hydrophilic coating agent OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-09-06 US disclosed
US-20150259570-A1 HYDROPHILIC COATING AGENT OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-09-17 US disclosed