SCHEMBL22166136

SCHEMBL22166136

C=CC(=O)OCCOCCOCCOCCOCCOCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
ALDH1A1 P00352 5/20 0.61
TP53 P04637 2/20 0.61
HIF1A Q16665 2/20 0.61
HSD17B10 Q99714 1/20 0.61
THRB P10828 2/20 0.59
TEAD3 Q99594 2/20 0.49
HCAR2 Q8TDS4 2/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1B10 O60218 3/20 0.45
AKR1B1 P15121 3/20 0.45
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.43
NAAA Q02083 1/20 0.43

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
SCHEMBL489366 1.00 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL318098 0.98 THRB (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
Ethylene Glycol SCHEMBL1087639 0.89 THRB (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL489015 0.89 TEAD3 (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9164139 0.89 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17439437 0.86 ALDH1A1 (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12680096 0.86 THRB (0.51) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL31453304 0.84 HCAR2 (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13899402 0.84 THRB (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15307664 0.83 THRB (0.50) TSHRALDH1A1TP53HIF1AHSD17B10

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-10695554-B2 Bio-electrode composition, bio-electrode, method for manufacturing the bio-electrode, and polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-06-30 US disclosed