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Sugi Predict / Compounds / SCHEMBL2224474

SCHEMBL2224474

SCHEMBL2224474

COc1cc(/C=C/c2cc(O)c(OC)c(O)c2)cc(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 7/20 0.68
▸ CYP1B1 Q16678 7/20 0.68
▸ ALOX5 P09917 6/20 0.68
▸ NQO2 P16083 4/20 0.64
▸ NQO1 P15559 1/20 0.64
▸ CYP1A2 P05177 4/20 0.63
▸ ABL1 P00519 6/20 0.61
▸ BCR P11274 6/20 0.61
▸ ABCB1 P08183 4/20 0.61
▸ TTR P02766 3/20 0.61
▸ PTGS2 P35354 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ RAB9A P51151 1/20 0.61

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
SCHEMBL2224480 1.00 CYP1A1 (0.68) CYP1A1CYP1B1ALOX5NQO2NQO1
SCHEMBL16191630 0.86 CYP1A1 (0.71) CYP1A1CYP1B1ALOX5NQO2NQO1
SCHEMBL16191631 0.86 CYP1A1 (0.71) CYP1A1CYP1B1ALOX5NQO2NQO1
SCHEMBL4929178 0.83 TDP1 (0.67) CYP1A1CYP1B1ALOX5NQO2CYP1A2
SCHEMBL4929169 0.83 TDP1 (0.67) CYP1A1CYP1B1ALOX5NQO2CYP1A2
SCHEMBL1743363 0.82 CYP1A1 (1.00) CYP1A1CYP1B1ALOX5NQO2CYP1A2
SCHEMBL1743365 0.82 CYP1A1 (1.00) CYP1A1CYP1B1ALOX5NQO2CYP1A2
SCHEMBL17534875 0.81 ALOX5 (1.00) CYP1A1CYP1B1ALOX5NQO2NQO1
SCHEMBL30603258 0.81 ALOX5 (1.00) CYP1A1CYP1B1ALOX5NQO2NQO1
SCHEMBL13222741 0.81 ALOX5 (1.00) CYP1A1CYP1B1ALOX5NQO2NQO1

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
CN-110314153-A Diphenylethylene compounds treat ischemic disease and the purposes to anti-inflammatory response 中国科学院上海药物研究所 2019-10-11 — — CN disclosed
CN-102115429-B (E)-1-(3,5-dimethoxyphenyl)-2-(3,5-dihydroxy-4-methoxyphenyl)ethylene, and preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2013-02-27 — — CN disclosed
CN-102115429-B (E)-1-(3,5-dimethoxyphenyl)-2-(3,5-dihydroxy-4-methoxyphenyl)ethylene, and preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2013-02-27 — — CN disclosed
CN-102115429-B (E)-1-(3,5-dimethoxyphenyl)-2-(3,5-dihydroxy-4-methoxyphenyl)ethylene, and preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2013-02-27 — — CN disclosed
WO-2011082617-A1 (E)-1-(3,5-DIMETHOXYPHENYL)-2-(3,5-DIHYDROXY-4-METHOXYPHENYL)ETHYLENE AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 (CN) 2011-07-14 — — WO disclosed
WO-2011082617-A1 (E)-1-(3,5-DIMETHOXYPHENYL)-2-(3,5-DIHYDROXY-4-METHOXYPHENYL)ETHYLENE AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 (CN) 2011-07-14 — — WO disclosed
WO-2011082617-A1 (E)-1-(3,5-DIMETHOXYPHENYL)-2-(3,5-DIHYDROXY-4-METHOXYPHENYL)ETHYLENE AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 (CN) 2011-07-14 — — WO disclosed
CN-102115429-A (E)-1-(3,5-dimethoxyphenyl)-2-(3,5-dihydroxy-4-methoxyphenyl)ethylene, and preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2011-07-06 — — CN disclosed
CN-102115429-A (E)-1-(3,5-dimethoxyphenyl)-2-(3,5-dihydroxy-4-methoxyphenyl)ethylene, and preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2011-07-06 — — CN disclosed
CN-102115429-A (E)-1-(3,5-dimethoxyphenyl)-2-(3,5-dihydroxy-4-methoxyphenyl)ethylene, and preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2011-07-06 — — CN disclosed