Glutarate

Glutarate

SCHEMBL28199588

CCOC(C)=O.O=C(O)CCCC(=O)O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HSD17B10 Q99714 2/20 0.67
LMNA P02545 2/20 0.67
SLC22A6 Q4U2R8 2/20 0.52
TSHR P16473 5/20 0.48
AKR1B1 P15121 1/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
PTPN1 P18031 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 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
Adipic Acid SCHEMBL11807980 0.95 ALDH1A1 (0.67) ALDH1A1HSD17B10LMNASLC22A6TSHR
Ethyl Acetate SCHEMBL28214457 0.93 ALDH1A1 (0.64) ALDH1A1HSD17B10LMNASLC22A6TSHR
Valeric Acid SCHEMBL454061 0.91 ALDH1A1 (0.61) ALDH1A1HSD17B10LMNASLC22A6TSHR
Hexanoate SCHEMBL5015262 0.89 AKR1B1 (0.67) ALDH1A1HSD17B10LMNASLC22A6TSHR
Palmitic Acid SCHEMBL27955991 0.87 GPR84 (0.68) ALDH1A1HSD17B10LMNASLC22A6TSHR
Nonanoate SCHEMBL27628803 0.87 GPR84 (0.68) ALDH1A1HSD17B10LMNASLC22A6TSHR
Heptanoate SCHEMBL9706299 0.87 GPR84 (0.68) ALDH1A1HSD17B10LMNASLC22A6TSHR
Stearic Acid SCHEMBL8132485 0.87 GPR84 (0.68) ALDH1A1HSD17B10LMNASLC22A6TSHR
Octanoic Acid SCHEMBL7413713 0.87 GPR84 (0.68) ALDH1A1HSD17B10LMNASLC22A6TSHR
Butyric Acid SCHEMBL31546267 0.86 ALDH1A1 (0.67) ALDH1A1HSD17B10LMNASLC22A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107739308-A A kind of method for extracting alpha Ketoglutarate and pyruvic acid simultaneously from microbial fermentation solution or enzymatic conversion liquid 江南大学 2018-02-27 CN claimed