SCHEMBL23375334

SCHEMBL23375334

C=C(C)C(=O)OCC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CCOC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.47
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
HTT P42858 2/20 0.42
APEX1 P27695 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PGR P06401 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 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
Hydrochloric Acid SCHEMBL1547473 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
Hydrochloric Acid SCHEMBL3628096 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
SCHEMBL1476522 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
SCHEMBL24895091 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
Hydrochloric Acid SCHEMBL8192652 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
Hydrochloric Acid SCHEMBL5381892 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
SCHEMBL1491883 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
SCHEMBL3694453 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
SCHEMBL11961430 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT
SCHEMBL1476825 0.93 TSHR (0.67) TSHRTHRBCHRM1CHRM3HTT

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
WO-2021094960-A1 PHOTOPOLYMERIZABLE ANTIBACTERIAL MONOMER UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2021-05-20 WO disclosed