SCHEMBL9562392

SCHEMBL9562392

C=CC(=O)OCCOCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
TSHR P16473 6/20 0.51
TP53 P04637 3/20 0.51
HIF1A Q16665 2/20 0.51
HSD17B10 Q99714 1/20 0.51
THRB P10828 2/20 0.48
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL21714525 0.86 THRB (0.51) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL397704 0.86 ALDH1A1 (0.62) ALDH1A1TSHRTP53HSD17B10THRB
Ethylene SCHEMBL27589410 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTP53HSD17B10THRB
SCHEMBL28105501 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTP53HSD17B10THRB
SCHEMBL28973741 0.84 ALDH1A1 (0.50) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL12192466 0.81 TSHR (0.58) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL10351242 0.79 THRB (0.44) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL15087211 0.79 ALDH1A1 (0.52) ALDH1A1TSHRTP53HSD17B10SLC1A3
Acrylic Acid SCHEMBL9562167 0.78 ALDH1A1 (0.49) ALDH1A1TSHRTP53HSD17B10SLC1A3
SCHEMBL29127793 0.77 TSHR (0.53) ALDH1A1TSHRTP53HIF1AHSD17B10

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-5223353-A Viscoelastic material and nonaqueous electrolyte RICOH COMPANY, LTD. (JP) 1993-06-29 US disclosed