SCHEMBL436684

SCHEMBL436684

O=C1c2ccccc2C(=O)c2c1cc(CO)c(O)c2O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.64
MCL1 Q07820 3/20 0.64
PGAM1 P18669 7/20 0.57
PKLR P30613 8/20 0.55
PTPN1 P18031 2/20 0.55
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 2/20 0.51
ALOX12 P18054 2/20 0.51
MAOA P21397 2/20 0.51
MAPK1 P28482 2/20 0.51
RECQL P46063 2/20 0.51
DAPK1 P53355 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1B1 Q16678 2/20 0.51
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL30040402 0.87 BCL2 (0.56) BCL2MCL1PGAM1PKLRPTPN1
SCHEMBL5981388 0.84 MAOA (0.64) BCL2MCL1KDM4EMEN1ALDH1A1
Digiferruginol SCHEMBL30614617 0.81 ELANE (0.69) BCL2MCL1PGAM1KDM4EMEN1
Digiferruginol SCHEMBL23199057 0.81 ELANE (0.69) BCL2MCL1PGAM1KDM4EMEN1
SCHEMBL23199044 0.79 PTPN1 (0.53) BCL2MCL1PGAM1PTPN1KDM4E
SCHEMBL27835079 0.79 AURKA (0.73) BCL2MCL1KDM4EMEN1ALDH1A1
SCHEMBL29384381 0.78 BCL2 (1.00) BCL2MCL1PGAM1PKLRPTPN1
SCHEMBL29388375 0.78 BCL2 (1.00) BCL2MCL1PGAM1PKLRPTPN1
SCHEMBL555230 0.78 BCL2 (1.00) BCL2MCL1PGAM1PKLRPTPN1
SCHEMBL29632886 0.78 BCL2 (0.67) BCL2MCL1PGAM1PKLRPTPN1

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-105543829-A Multifunctional global positioning system (GPS) vehicle terminal JIANGSU CHENGHUI TECH CO LTD 2016-05-04 CN claimed
EP-2595643-A1 ANTI-VIRAL PROPERTIES OF ALOE VERA AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT North Texas Medical Associates (US) 2013-05-29 EP claimed
WO-2012012513-A1 ANTI-VIRAL PROPERTIES OF ALOE VERA AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT NORTH TEXAS MEDICAL ASSOCIATES (US) 2012-01-26 WO claimed
CN-104891621-B A kind of remove the chelating agent of nitrobenzene compounds in water 温州泓呈祥科技有限公司 2016-08-17 CN disclosed
CN-105543829-A Multifunctional global positioning system (GPS) vehicle terminal JIANGSU CHENGHUI TECH CO LTD 2016-05-04 CN disclosed
CN-101918349-B Process for the preparation of diacerin CHIMICO INT SPA LAB 2013-11-06 CN disclosed
EP-2595643-A1 ANTI-VIRAL PROPERTIES OF ALOE VERA AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT North Texas Medical Associates (US) 2013-05-29 EP disclosed
WO-2012012513-A1 ANTI-VIRAL PROPERTIES OF ALOE VERA AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT NORTH TEXAS MEDICAL ASSOCIATES (US) 2012-01-26 WO disclosed
CN-101918349-A Process for the preparation of diacerin CHIMICO INT SPA LAB 2010-12-15 CN disclosed
WO-1996030034-A1 PRODUCTION OF RHEIN AND RHEIN DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-10-03 WO disclosed