SCHEMBL28630599

SCHEMBL28630599

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.34
THRB P10828 3/20 0.34
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30

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
Fluoride Ion SCHEMBL1302914 0.98 TSHR (0.39) TSHRHPGDALOX15THRBALDH1A1
Hydrochloric Acid SCHEMBL1302471 0.98 TSHR (0.39) TSHRHPGDALOX15THRBALDH1A1
Bromide SCHEMBL1301314 0.98 TSHR (0.39) TSHRHPGDALOX15THRBALDH1A1
Iodide SCHEMBL1302759 0.98 TSHR (0.39) TSHRHPGDALOX15THRBALDH1A1
SCHEMBL28421617 0.88 TSHR (0.33) TSHRHPGD
Bromide SCHEMBL28987028 0.85 TSHR (0.42) TSHRHPGDTHRBTP53HIF1A
Hydrochloric Acid SCHEMBL28438557 0.85 TSHR (0.42) TSHRHPGDTHRB
Bromide SCHEMBL17688408 0.85 TSHR (0.42) TSHRHPGDTHRBTP53HIF1A
Bromide SCHEMBL28987030 0.85 TSHR (0.42) TSHRHPGDTHRBTP53HIF1A
Bromide SCHEMBL28987027 0.85 TSHR (0.42) TSHRHPGDTHRBTP53HIF1A

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
CN-113201089-A All-solid-state self-repairing ion conductor, preparation method thereof and ion device 香港中文大学(深圳) 2021-08-03 CN claimed
CN-113201089-A All-solid-state self-repairing ion conductor, preparation method thereof and ion device 香港中文大学(深圳) 2021-08-03 CN disclosed