SCHEMBL8526431

SCHEMBL8526431

C=CC(=O)OCCOC#COOC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.43
HPGD P15428 1/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8525636 0.80 THRB (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8526170 0.76 TSHR (0.31) TSHR
SCHEMBL5719576 0.72 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5906591 0.72 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10349926 0.71 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93462 0.71 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.71 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8613816 0.70 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7461030 0.70 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9853301 0.69 TSHR (0.55) 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-0906937-A1 Graft copolymer obtained by free-radical polymerisation with stable free-radicals, its preparation and uses ELF ATOCHEM S.A. (FR) 1999-04-07 EP disclosed