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Phenyl Propionic Acid

Phenyl Propionic Acid

SCHEMBL7533717

CCc1ccc(C(C)C(=O)O)c(Br)c1Br.O=C(O)CCc1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.49
▸ FFAR1 O14842 9/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ FFAR4 Q5NUL3 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.39

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
Phenyl Propionic Acid SCHEMBL7533709 0.83 KEAP1 (0.61) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL23581098 0.74 KEAP1 (0.66) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL8935146 0.74 KEAP1 (0.66) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL10636725 0.72 KEAP1 (0.79) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1
SCHEMBL7533712 0.71 TDP1 (0.50) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1
SCHEMBL8097521 0.71 CYSLTR2 (0.48) KEAP1FFAR1
Phenyl Propionic Acid SCHEMBL9818480 0.70 KEAP1 (0.76) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL27464859 0.70 KEAP1 (0.83) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL9001639 0.70 KEAP1 (0.83) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1
Phenyl Propionic Acid SCHEMBL7636781 0.70 KEAP1 (0.91) KEAP1FFAR1SMN1; SMN2HDAC3MAPK1

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
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