SCHEMBL17534875

SCHEMBL17534875

COc1cc(C=Cc2ccc(O)c(O)c2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 1.00
NQO2 P16083 5/20 0.77
RELA Q04206 1/20 0.77
NQO1 P15559 1/20 0.75
CYP1A1 P04798 6/20 0.68
CYP1B1 Q16678 6/20 0.68
ABL1 P00519 5/20 0.68
BCR P11274 5/20 0.68
TTR P02766 5/20 0.68
ABCB1 P08183 4/20 0.68
PTGS2 P35354 3/20 0.68
KDM4E B2RXH2 2/20 0.68
MEN1 O00255 2/20 0.68
NPC1 O15118 2/20 0.68
MAPT P10636 2/20 0.68
RAB9A P51151 2/20 0.68
GFER P55789 2/20 0.68
KMT2A Q03164 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
GAA P10253 1/20 0.68

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
SCHEMBL30603258 1.00 ALOX5 (1.00) ALOX5NQO2RELANQO1CYP1A1
SCHEMBL13222741 1.00 ALOX5 (1.00) ALOX5NQO2RELANQO1CYP1A1
SCHEMBL13004139 0.93 ALOX5 (0.87) ALOX5NQO2RELANQO1CYP1A1
SCHEMBL5495964 0.87 NQO2 (1.00) ALOX5NQO2RELACYP1A1CYP1B1
SCHEMBL5495966 0.87 NQO2 (1.00) ALOX5NQO2RELACYP1A1CYP1B1
SCHEMBL30940357 0.87 NQO2 (1.00) ALOX5NQO2RELACYP1A1CYP1B1
SCHEMBL25328697 0.86 ALOX5 (1.00) ALOX5NQO2RELANQO1CYP1A1
SCHEMBL2966533 0.86 ALOX5 (1.00) ALOX5NQO2NQO1CYP1A1CYP1B1
SCHEMBL5319221 0.86 ALOX5 (0.75) ALOX5NQO2RELACYP1A1CYP1B1
SCHEMBL25328702 0.86 ALOX5 (1.00) ALOX5NQO2RELANQO1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731565-B A kind of soluble derivative of diphenylethylene compounds and its production and use FUDAN UNIVERSITY (CN) 2016-12-14 CN claimed
WO-2016032925-A1 3-HYDROXYPTEROSTILBENE AND THERAPEUTIC APPLICATIONS THEREOF MAJEED MUHAMMED (US) 2016-03-03 WO claimed
CN-112314602-A Application of stilbene compound in preventing and treating fungal diseases 兰州大学 2021-02-05 CN disclosed
CN-102731565-B A kind of soluble derivative of diphenylethylene compounds and its production and use FUDAN UNIVERSITY (CN) 2016-12-14 CN disclosed
US-9458075-B1 Process for the manufacture of 3′-hydroxy pterostilbene SAMI LABS LIMITED (IN) 2016-10-04 US disclosed
WO-2016032925-A4 3-HYDROXYPTEROSTILBENE AND THERAPEUTIC APPLICATIONS THEREOF NAGABHUSHANAM, KALYANAM (US) 2016-04-21 WO disclosed
US-20160058712-A1 3-HYDROXYPTEROSTILBENE AND THERAPEUTIC APPLICATIONS THEREOF SAMI LABS LIMITED (IN) 2016-03-03 US disclosed
WO-2016032925-A1 3-HYDROXYPTEROSTILBENE AND THERAPEUTIC APPLICATIONS THEREOF MAJEED MUHAMMED (US) 2016-03-03 WO disclosed
WO-2016032925-A1 3-HYDROXYPTEROSTILBENE AND THERAPEUTIC APPLICATIONS THEREOF MAJEED MUHAMMED (US) 2016-03-03 WO disclosed
CN-102731565-A Water-soluble derivative of diphenylethene compounds, preparation method and usage thereof UNIV FUDAN 2012-10-17 CN disclosed
CN-100494143-C Anti-tumor compound trans-4-[2-(3,5,-dimethoxyphenyl) vinyl]-1,2-xyyl alcohol and preparing method therefor UNIV FUDAN (CN) 2009-06-03 CN disclosed
CN-101070273-A Anti-tumor compound trans-4-[2-(3,5,-dimethoxyphenyl) vinyl]-1,2-xyyl alcohol and preparing method therefor UNIV FUDAN (CN) 2007-11-14 CN disclosed