SCHEMBL30039394

SCHEMBL30039394

COc1cc(/C=C/C(=O)OC2C(OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)OC(COC3OC(CO)C(O)C(O)C3OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)C(O)C2O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.57
▸ PRKCA P17252 4/20 0.53
▸ LDHA P00338 1/20 0.53
▸ SNCA P37840 1/20 0.51
▸ EPHX2 P34913 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KDM1A O60341 1/20 0.48
▸ MET P08581 2/20 0.48
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL30039672 0.97 PRKCA (0.57) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL30040193 0.94 LDHA (0.57) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL17938787 0.92 PTPN1 (0.58) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL30040229 0.90 LDHA (0.60) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL26485996 0.88 LDHA (0.58) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL2928116 0.88 LDHA (0.58) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL30429113 0.88 LDHA (0.58) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL15438013 0.85 SNCA (0.64) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL15711514 0.85 SNCA (0.66) PTPN1PRKCALDHASNCAEPHX2
SCHEMBL546975 0.85 SNCA (0.66) PTPN1PRKCALDHASNCAEPHX2

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-4085750-A1 LIGHT SOURCE FOR PLANT CULTIVATION Industry-University Cooperation Foundation of Chungbuk National University (KR) 2022-11-09 — — EP disclosed
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