SCHEMBL26919224

SCHEMBL26919224

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ THRB P10828 2/20 0.38
▸ ATM Q13315 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HCAR2 Q8TDS4 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
Hydrochloric Acid SCHEMBL31510117 0.91 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26919276 0.84 ATM (0.38) ATMHCAR2
SCHEMBL28032553 0.83 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26918931 0.81 CHRM1 (0.33) —
SCHEMBL26918852 0.81 CHRM5 (0.44) TSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL28000487 0.81 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26918837 0.80 NAAA (0.41) TSHRSMN1; SMN2
SCHEMBL26919239 0.79 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL26918891 0.79 ADRA2A (0.42) TSHRALDH1A1CYP3A4ATMSMN1; SMN2
SCHEMBL26918936 0.78 SCN1A (0.32) —

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
US-11839700-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 — — US disclosed
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