SCHEMBL1132846

SCHEMBL1132846

C=CC(=O)OCCC(C)OC.C=CC(=O)OCCOCC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.53
ALDH1A1 P00352 5/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 2/20 0.53
THRB P10828 3/20 0.49
HPGD P15428 1/20 0.45
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL36638 0.89 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6254026 0.86 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17509972 0.85 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL30831247 0.84 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26250 0.83 TSHR (0.75) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11439251 0.82 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8850371 0.82 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5685352 0.82 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4945997 0.82 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10390293 0.82 TSHR (0.79) 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
EP-2287264-A1 ADHESIVE SHEET FOR PROTECTION OF COATING FILM Nitto Denko Corporation (JP) 2011-02-23 EP disclosed