Hydroxyphenyl Propionic Acid

Hydroxyphenyl Propionic Acid

SCHEMBL7727271

O=C(O)CCc1ccc(O)cc1.O=C(O)Cc1ccc(O)cc1

nearest known ligand 0.76

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.76
CAMK2A Q9UQM7 1/20 0.76
FFAR1 O14842 6/20 0.59
KEAP1 Q14145 1/20 0.57
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
FFAR4 Q5NUL3 2/20 0.50
CA1 P00915 1/20 0.50
AKR1B1 P15121 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
TRPV1 Q8NER1 1/20 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
Hydroxyphenyl Propionic Acid SCHEMBL7738445 0.94 FFAR1 (0.69) CA2CAMK2AFFAR1KEAP1ALDH1A1
Hydroxyphenyl Propionic Acid SCHEMBL35486 0.92 FFAR1 (0.68) CA2CAMK2AFFAR1KEAP1ALDH1A1
SCHEMBL11318819 0.92 FFAR1 (0.68) CA2CAMK2AFFAR1KEAP1ALDH1A1
SCHEMBL28953591 0.92 FFAR1 (0.68) CA2CAMK2AFFAR1KEAP1ALDH1A1
Hydroxyphenyl Propionic Acid SCHEMBL18263865 0.90 FFAR1 (0.65) CA2CAMK2AFFAR1KEAP1ALDH1A1
Hydroxyphenyl Propionic Acid SCHEMBL28184441 0.90 FFAR1 (0.65) CA2CAMK2AFFAR1KEAP1ALDH1A1
Hydroxyphenyl Propionic Acid SCHEMBL5606896 0.90 FFAR1 (0.65) CA2CAMK2AFFAR1KEAP1ALDH1A1
Hydroxyphenyl Propionic Acid SCHEMBL10712090 0.90 FFAR1 (0.65) CA2CAMK2AFFAR1KEAP1ALDH1A1
Hydroxyphenyl Propionic Acid SCHEMBL28123368 0.88 FFAR1 (0.63) CA2CAMK2AFFAR1KEAP1ALDH1A1
SCHEMBL21114405 0.87 CA2 (1.00) CA2CAMK2AFFAR1ALDH1A1HPGD

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
US-6409937-B1 4-HYDROXYPHENYLACETIC ACID, 3-(4-HYDROXYPHENYL)PROPIONIC ACID, TEREPHTHALIC ACID, HYDROQUINONE, 2,6-NAPHTHALENE DIOL, 4,4'-BIPHENOL; ACETYLATION, HYDROLYSIS AT REDUCED PRESSURE FOR EFFICIENT ACETIC ACID REMOVAL AND HIGHER MOLECULAR WEIGHT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-06-25 US disclosed