SCHEMBL28041832

SCHEMBL28041832

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.41
CHRM5 P08912 6/20 0.41
CHRM3 P20309 6/20 0.41
CHRM2 P08172 6/20 0.41
CHRM4 P08173 6/20 0.41
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRNA7 P36544 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTR1A P08908 2/20 0.41
TBXA2R P21731 2/20 0.41
PGR P06401 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
GALR3 O60755 3/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 3/20 0.39

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
Phosphoric Acid SCHEMBL28543880 0.94 CHRM1 (0.37) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL3267819 0.85 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL3855601 0.82 TSHR (0.44) TSHRALDH1A1APEX1THRB
SCHEMBL7593395 0.81 CHRM1 (0.37) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL17049497 0.80 THRB (0.44) TSHRALDH1A1THRB
SCHEMBL222838 0.80 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL239022 0.80 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL5533901 0.80 THRB (0.44) TSHRALDH1A1THRB
SCHEMBL28800739 0.80 TSHR (0.41) CHRM1CHRM5CHRM3CHRM2CHRM4
SCHEMBL1324055 0.79 TSHR (0.41) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957564-A Bioactive coating 生物相互作用有限公司 2022-08-30 CN disclosed
CN-110776610-A Bioactive coating 生物相互作用有限公司 2020-02-11 CN disclosed
CN-105517585-B Bioactivity coatings 生物相互作用有限公司 2019-11-22 CN disclosed
CN-105517585-A bioactive coating BIOINTERACTIONS LTD 2016-04-20 CN disclosed
CN-105208968-A Surgical implant comprising a layer with an opening JOHNSON & JOHNSON MEDICAL 2015-12-30 CN disclosed