SCHEMBL30039672

SCHEMBL30039672

COc1cc(/C=C/C(=O)OC2C(OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 7/20 0.57
▸ PTPN1 P18031 1/20 0.56
▸ LDHA P00338 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ SNCA P37840 1/20 0.54
▸ KDM1A O60341 2/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47

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
SCHEMBL30039394 0.97 PTPN1 (0.57) PRKCAPTPN1LDHAALDH1A1CYP3A4
SCHEMBL30040229 0.94 LDHA (0.60) PRKCAPTPN1LDHAALDH1A1CYP3A4
SCHEMBL17938787 0.91 PTPN1 (0.58) PRKCAPTPN1LDHAALDH1A1CYP3A4
SCHEMBL30040193 0.91 LDHA (0.57) PRKCAPTPN1LDHAALDH1A1CYP3A4
SCHEMBL546975 0.87 SNCA (0.66) PRKCAPTPN1LDHAALDH1A1CYP3A4
SCHEMBL15711514 0.87 SNCA (0.66) PRKCAPTPN1LDHAALDH1A1CYP3A4
SCHEMBL20944781 0.87 SNCA (0.66) PRKCAPTPN1LDHAALDH1A1CYP3A4
SCHEMBL30429113 0.87 LDHA (0.58) PRKCAPTPN1LDHACYP3A4SNCA
SCHEMBL2928116 0.87 LDHA (0.58) PRKCAPTPN1LDHACYP3A4SNCA
SCHEMBL26485996 0.87 LDHA (0.58) PRKCAPTPN1LDHACYP3A4SNCA

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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