SCHEMBL8485668

SCHEMBL8485668

COc1cc2oc3ccccc3c(=O)c2c(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.71
NPC1 O15118 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
ABCG2 Q9UNQ0 3/20 0.59
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
ABCB1 P08183 1/20 0.52
MDM2 Q00987 1/20 0.52

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
SCHEMBL30255067 1.00 MAOA (0.71) MAOANPC1MEN1KMT2AABCG2
SCHEMBL28205926 0.85 MAOA (0.58) MAOANPC1MEN1KMT2AABCG2
SCHEMBL5612997 0.85 MAOA (0.69) MAOANPC1MEN1KMT2AABCG2
SCHEMBL30255441 0.85 MAOA (0.69) MAOANPC1MEN1KMT2AABCG2
SCHEMBL21912642 0.84 MAOA (0.65) MAOANPC1MEN1KMT2AABCG2
SCHEMBL14252988 0.83 ALDH1A1 (0.65) MAOANPC1MEN1KMT2AABCG2
SCHEMBL29711224 0.82 MGAM (0.64) MAOAMEN1KMT2AABCG2KDM4E
SCHEMBL31378227 0.82 MGAM (0.64) MAOAMEN1KMT2AABCG2KDM4E
SCHEMBL12500715 0.81 MAOA (0.64) MAOANPC1MEN1KMT2AKDM4E
SCHEMBL30346289 0.80 MAOA (0.65) MAOANPC1MEN1KMT2AABCG2

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-104650024-B The purposes of biological species mouth mountain ketone monomeric compound anti-hepatic fibrosis and hepatic sclerosis 北京大学 2018-04-27 CN disclosed
CN-107297128-A Can the new decorating house of fast purification air freshener 王婧宁 2017-10-27 CN disclosed
CN-104936626-A Coating for substrate GORE & ASS 2015-09-23 CN disclosed
CN-103655689-A Method for preparing lamiophlomis rotata extract JIANGXI NANCHANG PHARMACEUTICAL CO LTD 2014-03-26 CN disclosed
CN-102212067-B Garcinia derivative, method for preparing same and pharmaceutical application thereof UNIV CHINA PHARMA 2013-01-30 CN disclosed
CN-102138965-B Halenia elliptica D.Don extract and preparation method, pharmaceutical composition and application thereof TIANJIN INST PHARM RESEARCH 2012-12-19 CN disclosed
CN-102212067-A Garcinia derivative, method for preparing same and pharmaceutical application thereof UNIV CHINA PHARMA 2011-10-12 CN disclosed
CN-102138965-A Halenia elliptica D.Don extract and preparation method, pharmaceutical composition and application thereof TIANJIN INST PHARM RESEARCH 2011-08-03 CN disclosed
US-5981774-A PREPARING 3,5-DI(2,3-EPOXYPROPOXY)-1-HYDROXYXANTHONE BY REACTING 1,3,5-TRIMETHOXYXANTHONE WITH HYDROGEN IODIDE IN PHENOL WHEREBY 1,3,5-TRIHYDROXYXANTHONE IS OBTAINED, REACTING PRODUCT WITH EPICHLOROHYDRIN IN POTASSIUM HYDROXIDE NATIONAL SCIENCE COUNCIL (TW) 1999-11-09 US disclosed
US-5741813-A ADMINISTERING SUBSTITUTED XANTHONES NATIONAL SCIENCE COUNCIL (TW) 1998-04-21 US disclosed