Glutarate

Glutarate

SCHEMBL4744748

NCCCc1ccccc1.O=C(O)CCCC(=O)O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.74
HDAC1 Q13547 4/20 0.74
HDAC2 Q92769 4/20 0.74
HDAC8 Q9BY41 4/20 0.74
HDAC6 Q9UBN7 4/20 0.74
HDAC5 Q9UQL6 4/20 0.74
HDAC4 P56524 3/20 0.74
HDAC7 Q8WUI4 3/20 0.74
HDAC10 Q969S8 3/20 0.74
HDAC11 Q96DB2 3/20 0.74
HDAC9 Q9UKV0 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MAPK1 P28482 1/20 0.74
ADRA1A P35348 1/20 0.74
SLC6A3 Q01959 1/20 0.74
MAPT P10636 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
MAOA P21397 1/20 0.61
KEAP1 Q14145 1/20 0.61
LMNA P02545 2/20 0.58

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
Gamma-Aminobutyric Acid SCHEMBL27597368 0.96 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6
Oxalic Acid SCHEMBL28079977 0.86 MAOA (0.68) HDAC3HDAC1HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL1021513 0.86 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL21219015 0.86 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL1716 0.86 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL724890 0.85 HDAC1 (0.81) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11032273 0.84 FFAR1 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
Acetic Acid SCHEMBL8589684 0.84 MAOA (0.65) HDAC3HDAC1HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL2010634 0.84 HDAC1 (0.95) HDAC3HDAC1HDAC2HDAC8HDAC6
Phenylbutanoic Acid SCHEMBL726614 0.84 HDAC1 (0.95) HDAC3HDAC1HDAC2HDAC8HDAC6

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
WO-2008118423-A1 COMPOSITIONS AND METHODS FOR TREATING MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2008-10-02 WO disclosed