SCHEMBL7082818

SCHEMBL7082818

CCC(=O)OC(=O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.47
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL11583907 0.88 KMT2A (0.50) KMT2ACES2CES1MAPTGAA
SCHEMBL28275168 0.87 KMT2A (0.53) KMT2ACES2CES1HTTALDH1A1
SCHEMBL29054121 0.86 KMT2A (0.49) KMT2ACES2CES1MAPTGAA
SCHEMBL29539458 0.86 KMT2A (0.49) KMT2ACES2CES1MAPTGAA
SCHEMBL15537570 0.85 HDAC3 (0.49) KMT2AMAPTGAARAB9AALDH1A1
SCHEMBL28287213 0.84 KMT2A (0.53) KMT2AMAPTNPC1HTTALDH1A1
SCHEMBL896787 0.84 CES2 (0.62) KMT2ACES2CES1MAPTALDH1A1
SCHEMBL28952856 0.84 GAA (0.51) KMT2AMAPTGAANPC1RAB9A
SCHEMBL28914364 0.83 KMT2A (0.51) KMT2ACES2CES1MAPTNPC1
SCHEMBL28356373 0.82 GAA (0.53) KMT2AMAPTGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516210-A Preparation method of 2,3-dicyanofuran compound UNIV EAST CHINA SCIENCE & TECH 2012-06-27 CN claimed
CN-110742892-B Application of 12H-indazole [2,1-a ] cinnoline-12-ketone compound 浙江工业大学 2022-05-24 CN disclosed
CN-110742892-A Application of 12H-indazole [2,1-a ] cinnoline-12-ketone compound 浙江工业大学 2020-02-04 CN disclosed
CN-208886800-U A kind of trash burning processing unit in furfural production line 河南禾力能源股份有限公司 2019-05-21 CN disclosed
CN-108916892-A A kind of trash burning processing unit in furfural production line 河南禾力能源股份有限公司 2018-11-30 CN disclosed
US-9782748-B2 Synthesis of polymeric ionic liquids using a photochemical polymerization process THE UNIVERSITY OF TOLEDO (US) 2017-10-10 US disclosed
US-20150119231-A1 Synthesis of Polymeric Ionic Liquids Using a Photochemical Polymerization Process THE UNIVERSITY OF TOLEDO (US) 2015-04-30 US disclosed
WO-2013181345-A2 SYNTHESIS OF POLYMERIC IONIC LIQUIDS USING A PHOTOCHEMICAL POLYMERIZATION PROCESS THE UNIVERSITY OF TOLEDO (US) 2013-12-05 WO disclosed
CN-102516210-A Preparation method of 2,3-dicyanofuran compound UNIV EAST CHINA SCIENCE & TECH 2012-06-27 CN disclosed
EP-1029857-B1 Baccatin derivatives and a process for producing the same BIO RES CORP OF YOKOHAMA (JP) 2003-07-16 EP disclosed
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US disclosed
EP-1029857-A1 Baccatin derivatives and a process for producing the same Bio Research Corporation of Yokohama (JP) 2000-08-23 EP disclosed