SCHEMBL8926524

SCHEMBL8926524

C=CC(=O)OCCOC(=O)C=C.C=CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C=C)c(OCC)c2OCC)c(OCC)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.41
THRA P10827 1/20 0.38
TSHR P16473 5/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.33
TYMS P04818 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 2/20 0.32
EGFR P00533 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 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
SCHEMBL29385502 0.94 THRB (0.39) THRBTHRATSHRHPGDALDH1A1
SCHEMBL228775 0.94 THRB (0.39) THRBTHRATSHRHPGDALDH1A1
SCHEMBL202550 0.91 THRB (0.45) THRBTHRATSHRHPGDALDH1A1
SCHEMBL9517386 0.90 THRB (0.46) THRBTHRATSHRHPGDALDH1A1
SCHEMBL32674609 0.90 THRB (0.46) THRBTHRATSHRHPGDALDH1A1
Methacrylic Acid SCHEMBL9099472 0.87 THRB (0.35) THRBTHRAHPGDALDH1A1HSD17B10
SCHEMBL32674601 0.86 THRB (0.40) THRBTHRATSHRHPGDALDH1A1
SCHEMBL8950107 0.86 THRB (0.40) THRBTHRATSHRHPGDALDH1A1
Phenol SCHEMBL5441534 0.86 THRB (0.39) THRBTHRATSHRHPGDALDH1A1
SCHEMBL6473821 0.85 THRB (0.46) THRBTHRATSHRHPGDL3MBTL1

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-5627126-A THERMOGRAPHY; CROSSLINKED RESIN RICOH COMPANY, LTD. (JP) 1997-05-06 US disclosed