SCHEMBL4845100

SCHEMBL4845100

O=c1c(-c2ccccc2)coc2cccc(O)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
MEN1 O00255 7/20 0.68
CYP3A4 P08684 7/20 0.68
KMT2A Q03164 7/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
ALDH1A1 P00352 7/20 0.68
ALOX15 P16050 6/20 0.68
HPGD P15428 6/20 0.68
TP53 P04637 5/20 0.68
HSD17B10 Q99714 5/20 0.68
ALOX12 P18054 3/20 0.68
USP2 O75604 2/20 0.68
BLM P54132 2/20 0.68
BRCA1 P38398 1/20 0.68
KDM4E B2RXH2 5/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 3/20 0.56
MAOB P27338 4/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54

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
Fluoroacetate SCHEMBL28176650 0.90 ALOX15 (0.58) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
Acetic Acid Methyl Ester SCHEMBL28850782 0.89 SMN1; SMN2 (0.56) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL18676275 0.89 MAPT (0.68) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL11745010 0.86 ALDH1A1 (0.50) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL571121 0.83 SMN1; SMN2 (0.72) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL27586238 0.83 AR (0.57) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
5,7-Dihydroxyisoflavone SCHEMBL1586459 0.81 MEN1 (1.00) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL7616214 0.81 ADORA2A (0.58) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL27589505 0.80 ALDH1A1 (0.52) MAPTMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL27563471 0.80 SMN1; SMN2 (0.52) MAPTMEN1CYP3A4KMT2ASMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101857583-A Method for preparing isoflavone metal complexes and anti-tumor medical application WENZHOU MEDICAL COLLEGE 2010-10-13 CN claimed
JP-60061513-A None JP disclosed
CN-107459554-B 4', 7-dioxyacetyl-APAK-5-hydroxyisoflavone, its synthesis, activity and use 首都医科大学 2021-03-30 CN disclosed
CN-111372476-A Prevention of physical instability of heat-treated dairy products 阿尔拉食品公司 2020-07-03 CN disclosed
CN-108358988-A A kind of preparation method of the glucoside of flavone compound 中国中医科学院中药研究所 2018-08-03 CN disclosed
CN-107459554-A 4 ', 7- dioxy acetyl-APAK-5- hydroxy-isoflavones, it is synthesized, activity and application 首都医科大学 2017-12-12 CN disclosed
CN-104098463-A Separation method for benzene polycarboxylic acid isomers UNIV BEIJING CHEMICAL 2014-10-15 CN disclosed
CN-102127047-B Method for separating 5-hydroxyl isoflavonoids monomeric compound in blackberry lily UNIV CHINA PHARMA 2012-06-27 CN disclosed
CN-102127047-A Method for separating 5-hydroxyl isoflavonoids monomeric compound in blackberry lily UNIV CHINA PHARMA 2011-07-20 CN disclosed
CN-101857583-A Method for preparing isoflavone metal complexes and anti-tumor medical application WENZHOU MEDICAL COLLEGE 2010-10-13 CN disclosed
US-6642397-B1 Purified polycyclic sulfamate derivative STERIX LIMITED (GB) 2003-11-04 US disclosed
CN-1406577-A Cosmetic W/O emulsion and agents for skin containing amino substituted hydroxy diphenyl ketone BASF AG (DE) 2003-04-02 CN disclosed
CN-1406576-A Oil in water low emulsifier or non-emulsifier system containing stabilizer and amiho substituted hydroxy diphenyl ketone BASF AG (DE) 2003-04-02 CN disclosed
US-6476011-B1 Methods for introducing an estrogenic compound STERIX LIMITED (GB) 2002-11-05 US disclosed
US-6187766-B1 Steroid sulphatase inhibitors IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) 2001-02-13 US disclosed
US-5432014-A Flat display element SANYO ELECTRIC CO., LTD. (JP) 1995-07-11 US disclosed
EP-0430693-B1 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS (JP) 1995-05-31 EP disclosed
US-5114941-A PYRIMIDINEDIONE DERIVATIVE COMPOUNDS, METHOD FOR PREPARING SAME, AND ANTIARRYTHMIC AGENTS CONTAINING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-19 US disclosed
EP-0430693-A2 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-05 EP disclosed
JP-S6061513-A COSMETIC SANSHO SEIYAKU KK 1985-04-09 JP disclosed