Glutarate

Glutarate

SCHEMBL27767938

CCC(C)OC(C)CC.O=C(O)CCCC(=O)O

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.50
TSHR P16473 6/20 0.46
AKR1B1 P15121 1/20 0.46
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE4A P27815 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE3A Q14432 1/20 0.44

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
SCHEMBL793167 0.81 TSHR (0.52) SLC22A6TSHRAKR1B1GPR84PPARG
Acetic Acid SCHEMBL20657787 0.80 FFAR3 (0.39) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL6242801 0.79 LMNA (0.44) SLC22A6TSHRAKR1B1GPR84PPARG
SCHEMBL2682110 0.78 AKR1B1 (0.43) SLC22A6TSHRAKR1B1GPR84PPARG
Glutarate SCHEMBL28572304 0.78 SLC22A6 (0.58) SLC22A6TSHRAKR1B1GPR84PPARG
SCHEMBL8400588 0.77 ALDH1A1 (0.50) SLC22A6TSHRAKR1B1GPR84PPARG
SCHEMBL791222 0.77 LMNA (0.50) SLC22A6TSHRAKR1B1GPR84PPARG
SCHEMBL26397513 0.76 TSHR (0.52) SLC22A6TSHRGPR84PPARGPPARD
Glutarate SCHEMBL28037031 0.75 SLC22A6 (0.61) SLC22A6TSHRAKR1B1GPR84PPARG
Adipic Acid SCHEMBL5716572 0.75 AKR1B1 (0.62) SLC22A6TSHRAKR1B1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101624609-B Method for preparing (S)-3-substituent glutaric acid monoester class compound by enzyme catalysis ZHEJIANG JIUZHOU PHARM CO LTD 2013-04-17 CN claimed
CN-101624609-B Method for preparing (S)-3-substituent glutaric acid monoester class compound by enzyme catalysis ZHEJIANG JIUZHOU PHARM CO LTD 2013-04-17 CN disclosed
CN-101624609-A Method for preparing (S)-3-substituent glutaric acid monoester class compound by enzyme catalysis ZHEJIANG JIUZHOU PHARMACEUTICA 2010-01-13 CN disclosed