SCHEMBL28548907

SCHEMBL28548907

C=C(C)C(=O)OC(C)[N+](C)(C)CC(C)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL28553634 0.84 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28556226 0.84 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28570179 0.81 TSHR (0.32) TSHRALDH1A1
SCHEMBL23794907 0.78 TSHR (0.36) TSHRALDH1A1
SCHEMBL2022220 0.76 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
Sulfuric Acid SCHEMBL27579978 0.76 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4048487 0.76 TSHR (0.34) TSHR
SCHEMBL1615289 0.76 TSHR (0.35) TSHRALDH1A1
Hydrochloric Acid SCHEMBL7136899 0.75 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
Bromide SCHEMBL28749870 0.75 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759785-A Antifogging self-cleaning polyimide film and preparation method thereof 宁波长阳科技股份有限公司 2021-05-07 CN disclosed