SCHEMBL11599309

SCHEMBL11599309

C=CC(=O)OCC(C)OS(=O)(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.66
HPGD P15428 2/20 0.40
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 2/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL21905419 0.87 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11600457 0.81 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17890135 0.80 TSHR (0.76) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16448 0.80
SCHEMBL28192845 0.80 TSHR (1.00) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL689966 0.79 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.79 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2201804 0.79 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268127 0.79 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.79 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A

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
US-4071508-A SIMULTANEOUS POLYMERIZATION PLASTOMEDICAL SCIENCES, INC. (US) 1978-01-31 US disclosed
US-4036788-A Anionic hydrogels based on heterocyclic N-vinyl monomers PLASTOMEDICAL SCIENCES, INC. (US) 1977-07-19 US disclosed