SCHEMBL454062

SCHEMBL454062

CCCC(CC(=O)OCC)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
CHRM1 P11229 2/20 0.58
AKR1A1 P14550 1/20 0.58
CHRM3 P20309 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
ADRA1A P35348 1/20 0.58
HRH1 P35367 1/20 0.58
DRD3 P35462 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
GRIK1 P39086 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GRIK2 Q13002 1/20 0.46
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 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
SCHEMBL5557476 0.89 CA2 (0.57) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6265890 0.87 MGAM (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5557810 0.87 CA2 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL10803219 0.86 MGAM (0.44) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL774122 0.85 GRIK1 (0.51) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL7213826 0.85 GRIK1 (0.51) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
Ethane SCHEMBL28182021 0.84 MGAM (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1823767 0.83 MGAM (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4755497 0.83 MGAM (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8798162 0.83 CHRM1 (0.52) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1021772-C Process for preparing trans-cyclopentane-1, 2-dicarboxylic acid MEDICINE INDUSTRY RESEARCH INS (CN) 1993-08-11 CN claimed
CN-1057829-A Trans-pentamethylene-1, the preparation method of 2-dicarboxylic acid MEDICINE INDUSTRY RESEARCH INS (CN) 1992-01-15 CN claimed
EP-2614091-A2 CATALYST FOR POLYMERIZING NORBORNENE MONOMERS AND A METHOD FOR PRODUCING NORBORNENE POLYMER Showa Denko K.K. (JP) 2013-07-17 EP disclosed
WO-2012033227-A2 CATALYST FOR POLYMERIZING NORBORNENE MONOMERS AND A METHOD FOR PRODUCING NORBORNENE POLYMER SHOWA DENKO K.K. (JP) 2012-03-15 WO disclosed
CN-1186804-A Novel oxalic acid peroxide compositions and uses ATOCHEM NORTH AMERICA ELF (US) 1998-07-08 CN disclosed
CN-1021772-C Process for preparing trans-cyclopentane-1, 2-dicarboxylic acid MEDICINE INDUSTRY RESEARCH INS (CN) 1993-08-11 CN disclosed
CN-1057829-A Trans-pentamethylene-1, the preparation method of 2-dicarboxylic acid MEDICINE INDUSTRY RESEARCH INS (CN) 1992-01-15 CN disclosed
CN-1057829-A Trans-pentamethylene-1, the preparation method of 2-dicarboxylic acid MEDICINE INDUSTRY RESEARCH INS (CN) 1992-01-15 CN disclosed