SCHEMBL7642880

SCHEMBL7642880

C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C.C=COCCOCCOC=C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.67
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 1/20 0.42

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
SCHEMBL2606314 0.87 THRB (0.60) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4549061 0.87 THRB (0.60) THRBTSHRALDH1A1TP53HIF1A
Tetraethylene Glycol SCHEMBL11031063 0.86 THRB (0.69) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL238953 0.85 THRB (0.70) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29776450 0.84 THRB (0.93) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL39816 0.83 THRB (0.74) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16939129 0.82 THRB (0.63) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2742409 0.82 THRB (0.97) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL20831280 0.82 THRB (0.97) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17878009 0.82 THRB (0.97) THRBTSHRALDH1A1TP53HIF1A

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-6420441-B1 DISPERSING REMOVABLE CROSSLINKED POLYMER POROGENS IN A POLYSILOXANE, CURING, AND HEATING TO REMOVE POROGEN; LOW DIELECTRIC CONSTANT; HIGH POROSITY; INSULATION MATERIALS SHIPLEY COMPANY, L.L.C. 2002-07-16 US claimed