SCHEMBL5350028

SCHEMBL5350028

C=CC(=O)OCCO.C=COc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.62
TSHR P16473 5/20 0.59
ALDH1A1 P00352 6/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 3/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.39
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37
GAA P10253 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGM2 P21980 1/20 0.36
MAPK1 P28482 1/20 0.35
AKR1B10 O60218 1/20 0.35

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
SCHEMBL7194597 0.87 THRB (0.66) THRBTSHRALDH1A1TP53HIF1A
Diphenylether SCHEMBL2453207 0.87 THRB (0.66) THRBTSHRALDH1A1TP53HIF1A
Ethylene Glycol SCHEMBL15105958 0.84 TSHR (0.51) THRBTSHRALDH1A1TP53CYP3A4
Benzene SCHEMBL11756759 0.83 TSHR (0.86) THRBTSHRALDH1A1TP53HIF1A
Phthalic Acid SCHEMBL301414 0.81 TSHR (0.63) THRBTSHRALDH1A1TP53HIF1A
Styrene SCHEMBL6236168 0.81 TSHR (0.63) THRBTSHRALDH1A1TP53HIF1A
Toluene SCHEMBL27471815 0.81 TSHR (0.63) THRBTSHRALDH1A1TP53HIF1A
Phthalic Acid SCHEMBL29430009 0.81 TSHR (0.63) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL8861486 0.81 THRB (0.57) THRBTSHRALDH1A1TP53HIF1A
Phenylacetylene SCHEMBL28117737 0.80 TSHR (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757667-A2 Adhesive composition and process for adhesion using the adhesive composition Bridgestone Corporation (JP) 2007-02-28 EP disclosed
US-20070037911-A1 Adhesive composition and process for adhesion using the adhesive composition BRIDGESTONE CORPORATION 2007-02-15 US disclosed