SCHEMBL6717832

SCHEMBL6717832

CCC(=O)c1ccc(OC)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.56
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HMGCR P04035 1/20 0.51
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.46
TUBB1 Q9H4B7 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL27982790 0.86 MAPT (0.67) PDE4DMAPTTDP1HMGCRLMNA
SCHEMBL23302233 0.86 HTT (0.58) PDE4DMAPTTDP1HMGCRLMNA
SCHEMBL27860093 0.85 PDE4D (0.56) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL514174 0.84 MAPT (0.47) PDE4DMAPTTDP1HMGCRLMNA
SCHEMBL27848363 0.84 MAPT (0.47) PDE4DMAPTTDP1HMGCRLMNA
SCHEMBL24069248 0.84 PDE4D (0.49) PDE4DMAPTTDP1HMGCRLMNA
SCHEMBL28193844 0.84 HMGCR (0.47) PDE4DMAPTTDP1HMGCRLMNA
SCHEMBL4608592 0.84 PDE4D (0.55) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL8544960 0.84 PDE4D (0.58) PDE4DMAPTTDP1LMNAMAPK1
SCHEMBL11678563 0.84 PDE4D (0.55) PDE4DMAPTTDP1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101891604-A Method for synthesizing 2,4,5-trimethoxyethylphenylketone intermediate of alpha-asarin GUANGXI TRADITIONAL CHINESE MEDICAL UNIVERSITY 2010-11-24 CN claimed
CN-101195562-A Novel method for synthesizing alpha-asarone GUANGXI TRADITIONAL CHINESE ME (CN) 2008-06-11 CN claimed
CN-110128248-A It is a kind of green simplicity prepare alpha-ararin technique 承德石油高等专科学校 2019-08-16 CN disclosed
CN-109651199-A A kind of histon deacetylase (HDAC) and the double target spot inhibitor of micro-pipe and preparation method thereof 青岛大学 2019-04-19 CN disclosed
CN-102199077-B Method for producing (E)-2,4,5-trimethoxy-1-propenylbenzene LU CHAO 2013-01-23 CN disclosed
CN-101891604-A Method for synthesizing 2,4,5-trimethoxyethylphenylketone intermediate of alpha-asarin GUANGXI TRADITIONAL CHINESE MEDICAL UNIVERSITY 2010-11-24 CN disclosed
CN-101492351-A Process for producing asarin YABANG CHEMICAL INDUSTRY GROUP (CN) 2009-07-29 CN disclosed
CN-101195562-A Novel method for synthesizing alpha-asarone GUANGXI TRADITIONAL CHINESE ME (CN) 2008-06-11 CN disclosed
EP-1444190-A1 COMBRETASTATIN A-4 DERIVATIVES HAVING ANTINEOPLASTIC ACTIVITY Cancer Research Technology Limited (GB) 2004-08-11 EP disclosed
WO-2003040077-A1 COMBRETASTATIN A-4 DERIVATIVES HAVING ANTINEOPLASTIC ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-05-15 WO disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0770601-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-02 EP disclosed
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 US disclosed
EP-0200942-A2 New derivatives of an aminoketone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-11-12 EP disclosed