SCHEMBL7784243

SCHEMBL7784243

C=CC(=O)OCCOCCC1OCCO1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.63
ALDH1A1 P00352 4/20 0.63
TP53 P04637 3/20 0.63
HIF1A Q16665 3/20 0.63
HSD17B10 Q99714 1/20 0.63
THRB P10828 2/20 0.45
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9336489 0.85 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29468108 0.84 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9615813 0.83 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7646645 0.83 TSHR (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL25514 0.80 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10314657 0.80 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18134826 0.80 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8636795 0.80 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12701599 0.80 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4602612 0.80 TSHR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885408-B1 A SCREEN PRINTING STENCIL SERICOL LTD (GB) 2001-10-17 EP disclosed
US-5994033-A GRAFT POLYMER SERICOL LIMITED (GB) 1999-11-30 US disclosed