SCHEMBL27941920

SCHEMBL27941920

COc1cc(OC)c2oc(-c3ccc(O)cc3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 12/20 0.78
▸ ESR2 Q92731 12/20 0.78
▸ APP P05067 2/20 0.52
▸ FLT3 P36888 1/20 0.50
▸ MKNK2 Q9HBH9 1/20 0.50
▸ IP6K2 Q9UHH9 1/20 0.50
▸ CYP1A1 P04798 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP1B1 Q16678 1/20 0.49
▸ ABL1 P00519 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 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
SCHEMBL3928011 0.88 ESR1 (1.00) ESR1ESR2APPCYP1A1CYP1A2
SCHEMBL1428881 0.85 ESR1 (0.56) ESR1ESR2CYP1A1CYP1A2CYP1B1
SCHEMBL29978577 0.73 ABCB1 (0.82) FLT3MKNK2IP6K2CYP1A1CYP1A2
SCHEMBL311530 0.73 ABCB1 (0.82) FLT3MKNK2IP6K2CYP1A1CYP1A2
SCHEMBL18274896 0.73 ESR1 (0.53) ESR1ESR2APPCYP1A1CYP1A2
SCHEMBL7818271 0.73 ESR1 (0.60) ESR1ESR2APPCYP1B1KDM4E
SCHEMBL4008387 0.73 EGFR (0.50) ESR1ESR2APPCYP1A1CYP1A2
SCHEMBL3927970 0.72 ALDH1A1 (0.48) ESR1ESR2APPCYP1A1CYP1A2
SCHEMBL18224199 0.72 FASN (0.69) ESR1ESR2APPCYP1A1CYP1A2
SCHEMBL12549065 0.72 ABL1 (0.62) ESR1ESR2APPCYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103373974-B Preparation method of 2-(4-hydroxyphenyl)-5,7-dimethoxy benzofuran CAS GUANGZHOU CHEMISTRY CO LTD 2015-02-04 — — CN claimed
CN-103373974-B Preparation method of 2-(4-hydroxyphenyl)-5,7-dimethoxy benzofuran CAS GUANGZHOU CHEMISTRY CO LTD 2015-02-04 — — CN disclosed
CN-103373974-B Preparation method of 2-(4-hydroxyphenyl)-5,7-dimethoxy benzofuran CAS GUANGZHOU CHEMISTRY CO LTD 2015-02-04 — — CN disclosed
CN-103373974-B Preparation method of 2-(4-hydroxyphenyl)-5,7-dimethoxy benzofuran CAS GUANGZHOU CHEMISTRY CO LTD 2015-02-04 — — CN disclosed
CN-103373974-A Preparation method of 2-(4-hydroxyphenyl)-5,7-dimethoxy benzofuran CAS GUANGZHOU CHEMISTRY CO LTD 2013-10-30 — — CN disclosed
CN-103373974-A Preparation method of 2-(4-hydroxyphenyl)-5,7-dimethoxy benzofuran CAS GUANGZHOU CHEMISTRY CO LTD 2013-10-30 — — CN disclosed
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