Phenyl Propionic Acid

Phenyl Propionic Acid

SCHEMBL9670482

COC(=O)CCc1ccc(CCCCCCBr)cc1.O=C(O)CCc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.55
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KEAP1 Q14145 1/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
S1PR1 P21453 2/20 0.47

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
SCHEMBL9670477 0.90 THRA (0.53)
SCHEMBL7824247 0.89 FFAR1 (0.54) FFAR1MAPTRXFP1KEAP1HDAC1
Phenyl Propionic Acid SCHEMBL9673649 0.88 FFAR1 (0.56) FFAR1MAPTRXFP1KEAP1HDAC1
SCHEMBL9231881 0.85 HDAC1 (0.60) MAPTRXFP1HDAC1HDAC3MAPK1
Methyl 3-Phenylpropanoate SCHEMBL213543 0.85 KEAP1 (0.70) FFAR1MAPTRXFP1KEAP1HDAC1
Phenyl Propionic Acid SCHEMBL9673180 0.85 GAA (0.55) FFAR1MAPTRXFP1KEAP1HDAC1
SCHEMBL9404041 0.84 MAPT (0.65) MAPTRXFP1HDAC1HDAC3MAPK1
SCHEMBL8662111 0.84 MAPT (0.65) MAPTRXFP1HDAC1HDAC3MAPK1
SCHEMBL20717644 0.84 MAPT (0.65) MAPTRXFP1HDAC1HDAC3MAPK1
SCHEMBL9219599 0.84 MAPT (0.65) MAPTRXFP1HDAC1HDAC3MAPK1

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-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed