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Phenyl Propionic Acid

Phenyl Propionic Acid

SCHEMBL28865692

CCOC(=O)C1OC1c1ccccc1.O=C(O)CCc1ccccc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.76
▸ KEAP1 Q14145 1/20 0.50
▸ FFAR1 O14842 6/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43
▸ ALOX5 P09917 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 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
SCHEMBL14365934 0.87 TSHR (1.00) TSHRALDH1A1
SCHEMBL111475 0.87 TSHR (1.00) TSHRALDH1A1
SCHEMBL14393160 0.87 TSHR (1.00) TSHRALDH1A1
SCHEMBL8746347 0.87 TSHR (1.00) TSHRALDH1A1
SCHEMBL8875725 0.87 TSHR (1.00) TSHRALDH1A1
SCHEMBL3201023 0.87 TSHR (1.00) TSHRALDH1A1
Ethyl 3-Phenylpropanoate SCHEMBL311047 0.78 TDP1 (0.68) KEAP1FFAR1TDP1L3MBTL1FFAR4
Ethyl 3-Phenylpropanoate SCHEMBL8614481 0.77 TDP1 (0.66) KEAP1FFAR1TDP1L3MBTL1FFAR4
SCHEMBL2210689 0.77 TSHR (0.79) TSHRALDH1A1
Ethyl 3-Phenylpropanoate SCHEMBL27562389 0.76 CYP4F2 (0.66) KEAP1FFAR1TDP1L3MBTL1FFAR4

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
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 — — CN disclosed