Phenyl Propionic Acid

Phenyl Propionic Acid

SCHEMBL7528840

CC(C)(C(=O)O)c1cccc(Br)c1Br.O=C(O)CCc1ccccc1

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
FFAR1 O14842 13/20 0.49
FFAR4 Q5NUL3 7/20 0.44
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL11784286 0.84 CA2 (0.34) HDAC3HDAC4HDAC1SMN1; SMN2HDAC7
SCHEMBL3136256 0.74 KMT2A (0.41) HDAC3HDAC4HDAC1SMN1; SMN2HDAC7
Phenyl Propionic Acid SCHEMBL7528837 0.72 FFAR1 (0.52) KEAP1FFAR1FFAR4THRATHRB
Phenyl Propionic Acid SCHEMBL7636781 0.72 KEAP1 (0.91) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL29619843 0.72 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL27523271 0.72 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL235064 0.72 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL3419 0.72 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL13618844 0.72 KEAP1 (1.00) KEAP1FFAR1FFAR4HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL27428011 0.70 KEAP1 (0.79) KEAP1FFAR1FFAR4HDAC3MAPK1

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-2002015691-A1 USE FOR CONIFER SAPLING PROTECTION AGAINST INSECT ATTACK ROBIGUS AB (SE) 2002-02-28 WO disclosed