SCHEMBL9710450

SCHEMBL9710450

C=CC(=O)OCC(O)COC(=O)C=NOC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 2/20 0.37
ALDH1A1 P00352 5/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 3/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 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
SCHEMBL9710447 1.00 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9668625 0.84 CA1 (0.44) TSHRHPGDALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9668622 0.84 CA1 (0.44) TSHRHPGDALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9669023 0.83 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL9669028 0.83 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL95157 0.82 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9669097 0.81 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9669093 0.81 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL27859782 0.80 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4076455 0.80 TSHR (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093518-A Crease resistance, solvent resistance, wear resistance SOCIETE FRANCAISE HOECHST (FR) 1992-03-03 US disclosed