Phenyl Propionic Acid

Phenyl Propionic Acid

SCHEMBL7042956

O=C(O)CCC1CCCC1.O=C(O)CCc1ccccc1

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.63
FFAR1 O14842 9/20 0.59
FFAR4 Q5NUL3 5/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HDAC3 O15379 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL3450460 0.85 EPHX2 (0.52) KEAP1MAPK1SMN1; SMN2EPHX2ALDH1A1
Phenylbutanoic Acid SCHEMBL10636202 0.83 HDAC3 (0.64) KEAP1FFAR1MAPK1SMN1; SMN2HDAC3
SCHEMBL7042959 0.83 KLK7 (0.52) KEAP1MAPK1SMN1; SMN2EPHX2ALDH1A1
Benzoic Acid SCHEMBL5787919 0.81 KMT2A (0.50) SMN1; SMN2ALDH1A1CYP2C19LMNAMAPT
SCHEMBL2800 0.80 HPGD (0.52) ALDH1A1LMNAHTTNPSR1
Phenyl Propionic Acid SCHEMBL27523271 0.80 KEAP1 (1.00) KEAP1FFAR1FFAR4MAPK1SMN1; SMN2
Phenyl Propionic Acid SCHEMBL3419 0.80 KEAP1 (1.00) KEAP1FFAR1FFAR4MAPK1SMN1; SMN2
Phenyl Propionic Acid SCHEMBL29619843 0.80 KEAP1 (1.00) KEAP1FFAR1FFAR4MAPK1SMN1; SMN2
Phenyl Propionic Acid SCHEMBL13618844 0.80 KEAP1 (1.00) KEAP1FFAR1FFAR4MAPK1SMN1; SMN2
Phenyl Propionic Acid SCHEMBL235064 0.80 KEAP1 (1.00) KEAP1FFAR1FFAR4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401801-A4 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF UNIV TENNESSEE RES CORP (US) 2004-08-18 EP disclosed
EP-1401801-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2004-03-31 EP disclosed
WO-2002016310-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2002-02-28 WO disclosed