SCHEMBL8760480

SCHEMBL8760480

C=C(C)C(=O)OCCO.C=CC(=O)OCCO.CC=C(C)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.54
HPGD P15428 1/20 0.39
ALDH1A1 P00352 6/20 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
THRB P10828 3/20 0.38
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2942280 0.88 TSHR (0.66) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL932598 0.88 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL28016867 0.85 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Methyl Ester SCHEMBL342856 0.85 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL4496165 0.84 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9421551 0.84 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid SCHEMBL27710150 0.84 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL17627821 0.84 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5049197 0.83 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21313305 0.82 TSHR (0.61) 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
EP-0776992-A1 SURFACE-TREATED STEEL SHEET HAVING CHEMICAL CONVERSION RESIN COATING AND PROCESS FOR PRODUCING THE SAME Nippon Steel Corporation (JP) 1997-06-04 EP disclosed