SCHEMBL546910

SCHEMBL546910

COc1cc(C=CC(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.65
▸ SNCA P37840 1/20 0.62
▸ EPHX2 P34913 3/20 0.61
▸ PTGS1 P23219 2/20 0.56
▸ CA12 O43570 5/20 0.54
▸ CA9 Q16790 5/20 0.54
▸ CA1 P00915 4/20 0.54
▸ CA2 P00918 2/20 0.54
▸ TYR P14679 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ MET P08581 1/20 0.50
▸ PTPN1 P18031 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CA7 P43166 1/20 0.48

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
SCHEMBL15711524 1.00 LDHA (0.65) LDHASNCAEPHX2PTGS1CA12
SCHEMBL546911 1.00 LDHA (0.65) LDHASNCAEPHX2PTGS1CA12
SCHEMBL30192596 1.00 LDHA (0.65) LDHASNCAEPHX2PTGS1CA12
SCHEMBL9231443 0.95 LDHA (0.60) LDHASNCAEPHX2PTGS1CA12
SCHEMBL26485996 0.91 LDHA (0.58) LDHASNCAEPHX2PTGS1CA12
SCHEMBL30429113 0.91 LDHA (0.58) LDHASNCAEPHX2PTGS1CA12
SCHEMBL2928116 0.91 LDHA (0.58) LDHASNCAEPHX2PTGS1CA12
SCHEMBL15711514 0.89 SNCA (0.66) LDHASNCAEPHX2PTGS1CA12
SCHEMBL546975 0.89 SNCA (0.66) LDHASNCAEPHX2PTGS1CA12
SCHEMBL20944781 0.89 SNCA (0.66) LDHASNCAEPHX2PTGS1CA12

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2749644-B2 Recombinant host cell for biosynthetic production of vanillin SPECIALTY OPERATIONS FRANCE (FR) 2024-12-25 — — EP disclosed
CN-105283547-B Recombinant host cells for biosynthetic production 罗地亚经营管理公司 2022-10-04 — — CN disclosed
EP-2749644-B1 Recombinant host cell for biosynthetic production of vanillin RHODIA OPERATIONS (FR) 2018-08-22 — — EP disclosed
US-20150322465-A1 RECOMBINANT HOST CELL FOR BIOSYNTHETIC PRODUCTION RHODIA OPERATIONS (FR) 2015-11-12 — — US disclosed
WO-2014102368-A1 RECOMBINANT HOST CELL FOR BIOSYNTHETIC PRODUCTION EVIAGENICS S.A. (FR) 2014-07-03 — — WO disclosed
EP-2749644-A1 Recombinant host cell for biosynthetic production of vanillin Eviagenics S.A. (FR) 2014-07-02 — — EP disclosed
US-8110722-B2 Aromatic acyltransferase genes LOCAL INDEPENDENT ADMINISTRATIVE INSTITUTION AOMORI PREFECTURAL INDUSTRIAL TECHNOLOGY RESEARCH CENTER (JP) 2012-02-07 — — US disclosed
EP-1947179-B1 NOVEL AROMATIC ACYL GROUP TRANSFERASE GENES LOCAL INDEPENDENT ADMINISTRATIVE INSTITUTION AOMORI PREFECTURAL IND TECHNOLOGY RES CT (JP) 2011-09-21 — — EP disclosed
US-20090288225-A1 Novel Aromatic Acyltransferase Genes AOMORI PREFECTURE (JP) 2009-11-19 — — US disclosed
EP-1947179-A1 NOVEL AROMATIC ACYL GROUP TRANSFERASE GENE Aomori prefecture (JP) 2008-07-23 — — EP disclosed
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