SCHEMBL8780696

SCHEMBL8780696

C=CCOCCOCCOC(=O)OCC=C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
THRB P10828 2/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL10886350 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1093745 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9714112 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL50692 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10870570 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10902737 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5860449 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7265581 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7758024 0.96 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL188647 0.96 TSHR (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421512-A1 Sensitisation and stabilisation of organometallic compounds acting as photocatalysts and photosensitisers in photochemical radical polymerisation process CHIMIA PRODOTTI E PROCESSI SRL (IT) 1991-04-10 EP claimed
EP-3740815-A1 SPECTACLE LENS COMPRISING AT LEAST ONE NANOSTRUCTURED AND/OR MICRO-STRUCTURED LAYER Carl Zeiss Vision International GmbH (DE) 2020-11-25 EP disclosed
EP-0810251-A2 Storage-stable one-component air activated formulations of polythiol and polyene employing iron compound LOCTITE (IRELAND) LIMITED (IE) 1997-12-03 EP disclosed