SCHEMBL28243765

SCHEMBL28243765

[CH2]C[N+](C)(C)CC(C)OC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM1 P11229 2/20 0.44
TBXA2R P21731 1/20 0.44
MAPT P10636 2/20 0.43
GALR3 O60755 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.34
THRB P10828 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
Hydrochloric Acid SCHEMBL21880081 0.84 MAPT (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL202123 0.83 TSHR (0.64) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL717993 0.81 MAPT (0.66) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15751663 0.77 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28330589 0.76 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11148536 0.76 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL4616679 0.75 MAPT (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28015281 0.75 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL3912081 0.75 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2544205 0.74 TSHR (0.50) 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-108603136-A It is coated with solution, by the Medical Devices of its coating and coating that are formed 生物相互作用有限公司 2018-09-28 CN disclosed