Glutarate

Glutarate

SCHEMBL28947728

N.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4

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
SLC22A6 Q4U2R8 2/20 0.85
LMNA P02545 4/20 0.71
ALKBH5 Q6P6C2 1/20 0.69
SUCNR1 Q9BXA5 1/20 0.69
EGLN1 Q9GZT9 1/20 0.69
TSHR P16473 5/20 0.67
NFKB1 P19838 2/20 0.67
PMP22 Q01453 1/20 0.67
CAMK2A Q9UQM7 1/20 0.59
HDAC11 Q96DB2 3/20 0.56
KMT2A Q03164 2/20 0.56
GABRR3 A8MPY1 1/20 0.56
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
HDAC3 O15379 1/20 0.56
GABBR2 O75899 1/20 0.56
CYP1A2 P05177 1/20 0.56
THRB P10828 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56

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 SCHEMBL28811854 1.00 SLC22A6 (0.85) SLC22A6LMNAALKBH5SUCNR1EGLN1
Glutarate SCHEMBL1060948 0.96 SLC22A6 (0.92) SLC22A6LMNAALKBH5SUCNR1EGLN1
Glutarate SCHEMBL20876932 0.96 SLC22A6 (0.92) SLC22A6LMNAALKBH5SUCNR1EGLN1
Glutarate SCHEMBL29536271 0.96 SLC22A6 (0.92) SLC22A6LMNAALKBH5SUCNR1EGLN1
Glutarate SCHEMBL1352927 0.96 SLC22A6 (0.92) SLC22A6LMNAALKBH5SUCNR1EGLN1
Glutarate SCHEMBL2579934 0.96 SLC22A6 (0.92) SLC22A6LMNAALKBH5SUCNR1EGLN1
Glutarate SCHEMBL1602467 0.96 SLC22A6 (0.92) SLC22A6LMNAALKBH5SUCNR1EGLN1
Adipic Acid SCHEMBL2333828 0.92 LMNA (0.85) SLC22A6LMNAALKBH5SUCNR1EGLN1
Adipic Acid SCHEMBL2480632 0.92 LMNA (0.85) SLC22A6LMNAALKBH5SUCNR1EGLN1
Adipic Acid SCHEMBL28811844 0.92 LMNA (0.85) SLC22A6LMNATSHRNFKB1PMP22

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-114920923-A Process method for continuously polymerizing ammonium carboxylate and caprolactam 天津长芦海晶集团有限公司 2022-08-19 CN disclosed