Glutarate

Glutarate

SCHEMBL29142249

CCCCCCCC[n+]1ccn(C)c1.O=C(O)CCCC(=O)O.[Br-]

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Glutarate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
GPR84 Q9NQS5 4/20 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
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE4A P27815 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
Glutarate SCHEMBL29142326 0.94 MEN1 (0.40) MEN1KMT2AHSP90AA1SMN1; SMN2PPARG
Glutarate SCHEMBL29142293 0.93 MEN1 (0.42) MEN1KMT2AHSP90AA1SMN1; SMN2PPARG
Oxalic Acid SCHEMBL29142243 0.90 HSP90AA1 (0.48) MEN1KMT2AHSP90AA1SMN1; SMN2TSHR
SCHEMBL18211771 0.90 TSHR (0.40) MEN1KMT2APPARGPPARDPPARA
SCHEMBL22916707 0.90 TSHR (0.40) MEN1KMT2APPARGPPARDPPARA
SCHEMBL18211781 0.90 TSHR (0.40) MEN1KMT2APPARGPPARDPPARA
SCHEMBL18211773 0.90 TSHR (0.40) MEN1KMT2APPARGPPARDPPARA
Succinic Acid SCHEMBL29142339 0.89 MEN1 (0.43) MEN1KMT2AHSP90AA1SMN1; SMN2PPARG
Bicarbonate SCHEMBL23698462 0.87 ABCB11 (0.44) MEN1KMT2AHSP90AA1SMN1; SMN2ESR1
Bicarbonate SCHEMBL31529724 0.87 ABCB11 (0.44) MEN1KMT2AHSP90AA1SMN1; SMN2ESR1

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-117440991-A Polysiloxane composition 默克专利有限公司 2024-01-23 CN disclosed