SCHEMBL28290653

SCHEMBL28290653

C=CC(=O)OCCC[N+](C)(C)C(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.47
▸ TSHR P16473 6/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CHRM1 P11229 6/20 0.43
▸ CHRM3 P20309 6/20 0.43
▸ CHRM4 P08173 5/20 0.43
▸ CHRM2 P08172 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CHRM5 P08912 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ TP53 P04637 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL28033038 0.92 THRB (0.49) THRBTSHRHPGDCHRM1CHRM3
Hydrochloric Acid SCHEMBL28000634 0.91 THRB (0.48) THRBTSHRHPGDCHRM1CHRM3
SCHEMBL22047091 0.78 THRB (0.51) THRBTSHRHPGDCHRM1CHRM3
SCHEMBL25385324 0.78 THRB (0.51) THRBTSHRHPGDCHRM1CHRM3
Hydrochloric Acid SCHEMBL29848414 0.77 THRB (0.50) THRBTSHRHPGDCHRM1CHRM3
SCHEMBL15901529 0.76 THRB (0.55) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL14409026 0.76 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL28028462 0.75 TGM2 (0.44) HPGDALDH1A1LMNA
Iodide SCHEMBL28537835 0.75 THRB (0.48) THRBTSHRHPGDALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3910414 0.75 TP53 (0.49) THRBTSHRHPGDALDH1A1CYP3A4

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-109722082-A Coating composition 株式会社E-TEC 2019-05-07 — — CN disclosed
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