SCHEMBL11243324

SCHEMBL11243324

CCC=C(CCC)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.39
CES2 O00748 2/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL11243321 1.00 CES1 (0.39) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL5423161 0.83 GRIK1 (0.41) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL1003142 0.80 GRIK1 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL9493661 0.80 GRIK1 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL691600 0.80 GRIK1 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL25932051 0.80 CES1 (0.52) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL10062287 0.79
SCHEMBL11288814 0.78 GRIK1 (0.39) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL11288817 0.78 GRIK1 (0.39) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL9624867 0.78 TSHR (0.46) CES1CES2HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111411-A A kind of light takes out layer material and its application 武汉尚赛光电科技有限公司 2019-01-01 CN disclosed
CN-1498218-A Imidazo-pyrimidine derivatives as GABA receptor ligands Ĭ�ˡ�����-��ķ��˾ 2004-05-19 CN disclosed
CN-1286251-A Method for preparing 5-lipooxygenase inhibitor having changeable heterocycle system PFIZER PROD INC (US) 2001-03-07 CN disclosed
US-4315032-A ANTITHROMBOGENIC AGENTS, ANTIULCER AGENTS TEITIN LIMITED (JP) 1982-02-09 US disclosed
EP-0019475-A2 Process for preparing adjacently disubstituted ketones, novel prostaglandins E1 and anti-thrombotic compositions containing them TEIJIN LIMITED (JP) 1980-11-26 EP disclosed
US-4139717-A 1,3-Dicarbonyl compounds TEIJIN LIMITED (JP) 1979-02-13 US disclosed
US-4009196-A HYPOTENSIVE AGENTS, BRONCHODILATORS, PROSTAGLANDIN ANALOGS TEIJIN LIMITED (JA) 1977-02-22 US disclosed