Phenylacetic Acid

Phenylacetic Acid

SCHEMBL1829196

CCC(C(=O)O)c1ccccc1.O=C(O)Cc1ccccc1

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.59
POLB P06746 1/20 0.53
KDM4A O75164 1/20 0.50
LMNA P02545 3/20 0.49
HSD17B10 Q99714 1/20 0.49
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
ABCC4 O15439 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CNR2 P34972 1/20 0.45
KCNQ2 O43526 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL20769804 0.87 LMNA (0.59) POLBKDM4ALMNAHSD17B10CRHBP
SCHEMBL65737 0.87 LMNA (0.59) POLBKDM4ALMNAHSD17B10CRHBP
SCHEMBL29757088 0.87 LMNA (0.59) POLBKDM4ALMNAHSD17B10CRHBP
SCHEMBL67237 0.87 LMNA (0.59) POLBKDM4ALMNAHSD17B10CRHBP
SCHEMBL1715 0.87 LMNA (0.59) POLBKDM4ALMNAHSD17B10CRHBP
Propionic Acid SCHEMBL544940 0.85 LMNA (0.54) POLBKDM4ALMNAHSD17B10CRHBP
Hydrochloric Acid SCHEMBL16820451 0.85 LMNA (0.58) POLBKDM4ALMNAHSD17B10CRHBP
SCHEMBL5598361 0.85 LMNA (0.58) POLBKDM4ALMNAHSD17B10CRHBP
SCHEMBL9171150 0.85 LMNA (0.58) POLBKDM4ALMNAHSD17B10CRHBP
Methane SCHEMBL7338694 0.85 LMNA (0.58) POLBKDM4ALMNAHSD17B10CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102512408-A Compositions comprising ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL BIOMEDICA PLC 2012-06-27 CN disclosed
CN-101102816-B Composition containing ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL BUSINESS PLC (GB) 2011-12-07 CN disclosed
EP-2319581-A1 Compositions comprising ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL Business PLC (GB) 2011-05-11 EP disclosed
CN-101102816-A Composition containing ornithine and phenylacetate or phenylbutyrate for treating hepatic encephalopathy UCL BUSINESS PLC (GB) 2008-01-09 CN disclosed