SCHEMBL20944781

SCHEMBL20944781

COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 2/20 0.66
▸ PTPN1 P18031 1/20 0.61
▸ PRKCA P17252 2/20 0.59
▸ CA12 O43570 5/20 0.59
▸ CA9 Q16790 5/20 0.59
▸ CA1 P00915 4/20 0.59
▸ CA2 P00918 3/20 0.59
▸ PTGS1 P23219 2/20 0.57
▸ EPHX2 P34913 1/20 0.55
▸ GAA P10253 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ LDHA P00338 1/20 0.54
▸ MAOB P27338 2/20 0.54
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52

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
SCHEMBL546975 1.00 SNCA (0.66) SNCAPTPN1PRKCACA12CA9
SCHEMBL15711514 1.00 SNCA (0.66) SNCAPTPN1PRKCACA12CA9
SCHEMBL15438013 0.99 SNCA (0.64) SNCAPTPN1PRKCACA12CA9
SCHEMBL9942532 0.92 SNCA (0.66) SNCAPTPN1PRKCACA12CA9
SCHEMBL15711524 0.89 LDHA (0.65) SNCAPTPN1CA12CA9CA1
SCHEMBL546911 0.89 LDHA (0.65) SNCAPTPN1CA12CA9CA1
SCHEMBL30192596 0.89 LDHA (0.65) SNCAPTPN1CA12CA9CA1
SCHEMBL546910 0.89 LDHA (0.65) SNCAPTPN1CA12CA9CA1
SCHEMBL9942524 0.89 SNCA (0.65) SNCAPTPN1PRKCACA12CA9
SCHEMBL3986428 0.88 GAA (0.65) SNCAPRKCAGAATDP1HSD17B10

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-20190127812-A1 Inhibition of Sucrose Crystallization Using Glycosides PURDUE RESEARCH FOUNDATION (US) 2019-05-02 — — US claimed
US-20190127812-A1 Inhibition of Sucrose Crystallization Using Glycosides PURDUE RESEARCH FOUNDATION (US) 2019-05-02 — — US disclosed
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