SCHEMBL5684239

SCHEMBL5684239

c1ccc(-c2cc3c(c4c2OCO4)OCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.43
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
CYP1A1 P04798 1/20 0.41
CDK2 P24941 1/20 0.38
PKM P14618 2/20 0.38
TSHR P16473 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALOX5 P09917 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL11390274 0.74 ABCG2 (0.50) CYP1A2CYP1B1ABCG2PTGS2PTGS1
SCHEMBL12722842 0.73 PTGS2 (0.48) CYP1A2CYP1B1ABCG2PTGS2PTGS1
SCHEMBL14302835 0.73 CYP1A2 (0.51) CYP1A2CYP1B1ABCG2PTGS2PTGS1
SCHEMBL7314594 0.70 POLB (0.49) CYP1A2CYP1B1PTGS2PTGS1MEN1
SCHEMBL4556560 0.69 BACE1 (0.45) CYP1A2CYP1B1ADORA3ADORA2AADORA1
SCHEMBL13346867 0.69 ESR2 (0.40) CYP1A2CYP1B1ABCG2PTGS2PTGS1
SCHEMBL1664233 0.69 TP53 (0.48) CYP1A2PTGS2PTGS1PKMMEN1
SCHEMBL29693292 0.69 PTGS2 (0.48) CYP1A2CYP1B1PTGS2PTGS1PKM
SCHEMBL915780 0.69 PTGS2 (0.48) CYP1A2CYP1B1PTGS2PTGS1PKM
SCHEMBL17876319 0.68 PTPRC (0.53) ABCG2PTGS2PKMTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353358-B1 BIS(METHYLENEDIOXY)BIPHENYL COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-08-18 EP claimed
EP-0353358-A1 Bis(methylenedioxy)biphenyl compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-02-07 EP claimed
US-4868207-A Bis (methylenedioxy) biphenyl compounds useful for the treatment of liver diseases TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-09-19 US claimed
CN-104402856-B Preparation method of bis(methylenedioxy) biphenyl derivative compound 浙江东亚药业有限公司 2017-05-03 CN disclosed
CN-104402856-B Preparation method of bis(methylenedioxy) biphenyl derivative compound 浙江东亚药业有限公司 2017-05-03 CN disclosed
CN-104402856-A Preparation method of bis(methylenedioxy) biphenyl derivative compound ZHEJIANG EAST ASIA PHARMACEUTICAL CO LTD 2015-03-11 CN disclosed
CN-104402856-A Preparation method of bis(methylenedioxy) biphenyl derivative compound ZHEJIANG EAST ASIA PHARMACEUTICAL CO LTD 2015-03-11 CN disclosed
EP-0837677-B1 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES UNIV NORTH CAROLINA (US) 2006-03-29 EP disclosed
EP-0837677-A4 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES UNIV NORTH CAROLINA (US) 1999-12-15 EP disclosed
EP-0837677-A1 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-29 EP disclosed
US-5612341-A BIS-BENZODIOXOLE COMPOUNDS, TREATMENT OF HIV, VIRICIDES BIOTECH RESEARCH LABORATORIES (US) 1997-03-18 US disclosed
WO-1996040111-A1 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed
EP-0353358-B1 BIS(METHYLENEDIOXY)BIPHENYL COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-08-18 EP disclosed
EP-0353358-A1 Bis(methylenedioxy)biphenyl compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-02-07 EP disclosed
EP-0353358-A1 Bis(methylenedioxy)biphenyl compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-02-07 EP disclosed
EP-0353358-A1 Bis(methylenedioxy)biphenyl compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-02-07 EP disclosed
US-4868207-A Bis (methylenedioxy) biphenyl compounds useful for the treatment of liver diseases TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-09-19 US disclosed
US-4868207-A Bis (methylenedioxy) biphenyl compounds useful for the treatment of liver diseases TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-09-19 US disclosed
US-4868207-A Bis (methylenedioxy) biphenyl compounds useful for the treatment of liver diseases TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-09-19 US disclosed