Phenylbutanoic Acid

Phenylbutanoic Acid

SCHEMBL1832631

NCCC[C@H](N)C(=O)O.O=C(O)CCCc1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
MAPK1 P28482 1/20 0.62
ADRA1A P35348 1/20 0.62
SLC6A3 Q01959 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GRIK1 P39086 1/20 0.55
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CPB2 Q96IY4 2/20 0.51
LTA4H P09960 2/20 0.50

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
SCHEMBL377574 0.84 GRIK1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5082998 0.84 GRIK1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2130589 0.84 GRIK1 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
Ornithine SCHEMBL7429185 0.83 GRIK1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Phenylacetic Acid SCHEMBL16975021 0.83 AKR1B1 (0.55) GRIK1LTA4HGSRALPIPKM
Phenylacetic Acid SCHEMBL1702338 0.83 AKR1B1 (0.55) GRIK1LTA4HGSRALPIPKM
Homophenylalanine SCHEMBL14331297 0.83 GSR (0.65) GRIK1CPB2LTA4HGSRALPI
Homophenylalanine SCHEMBL27675878 0.83 GSR (0.65) GRIK1CPB2LTA4HGSRALPI
Hydrochloric Acid SCHEMBL7359673 0.82 GRIK1 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3390123 0.82 GRIK1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221954-A1 METHODS TO TREAT, PREVENT, OR REDUCE HYPERAMMONEMIA RUBIN DARREN ALEXANDER (US) 2025-07-10 US claimed
US-20250221954-A1 METHODS TO TREAT, PREVENT, OR REDUCE HYPERAMMONEMIA RUBIN DARREN ALEXANDER (US) 2025-07-10 US disclosed
EP-3686183-B1 L-ORNITHINE PHENYL ACETATE AND METHODS OF MAKING THEREOF OCERA THERAPEUTICS INC (US) 2022-08-03 EP disclosed
US-10610506-B2 Compositions comprising ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL BUSINESS LTD (GB) 2020-04-07 US disclosed
US-20170189364-A1 COMPOSITIONS COMPRISING ORNITHINE AND PHENYLACETATE OR PHENYLBUTYRATE FOR TREATING HEPATIC ENCEPHALOPATHY VTESSE LLC 2017-07-06 US disclosed
EP-2319581-B1 Compositions comprising ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL BUSINESS PLC (GB) 2015-02-25 EP disclosed
EP-2153870-B1 Compositions comprising ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL BUSINESS PLC (GB) 2013-12-25 EP disclosed
US-8389576-B2 Using ornithine in the manufacture of a medicament for use in combination with at least one of phenylacetate and phenylbutyrate for preventing or treating liver decompensation or hepatic encephalopathy; isoleucine may also be administered; brain disorders effected by liver disorders UCL BUSINESS PLC (GB) 2013-03-05 US disclosed
EP-2319581-A1 Compositions comprising ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL Business PLC (GB) 2011-05-11 EP disclosed
EP-2153870-A1 Compositions comprising ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL Business PLC (GB) 2010-02-17 EP disclosed
US-20080119554-A1 Compositions Comprising Ornithine And Phenylacetate Or Phenylbutyrate For Treating Hepatic Encephalopathy VTESSE LLC 2008-05-22 US disclosed
EP-1824563-A1 COMPOSITIONS COMPRISING ORNITHINE AND PHENYLACETATE OR PHENYLBUTYRATE FOR TREATING HEPATIC ENCEPHALOPATHY UCL Business PLC (GB) 2007-08-29 EP disclosed
WO-2006056794-A1 COMPOSITIONS COMPRISING ORNITHINE AND PHENYLACETATE OR PHENYLBUTYRATE FOR TREATING HEPATIC ENCEPHALOPATHY UCL BUSINESS PLC (GB) 2006-06-01 WO disclosed