Propionic Acid

Propionic Acid

SCHEMBL22345232

CCC(=O)[O-].CCCCCCCCCCCCOC(=O)CC=N.[K+]

nearest known ligand 0.56

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Propionic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 2/20 0.44
DGKA P23743 1/20 0.43
HTR2C P28335 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 2/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
FABP3 P05413 3/20 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
Propionic Acid SCHEMBL22345233 0.97 NAAA (0.56) NAAARAD52NPSR1FAAHDGKA
SCHEMBL27900198 0.90 NAAA (0.62) NAAARAD52NPSR1FAAHDGKA
SCHEMBL17219584 0.90 NAAA (0.62) NAAARAD52NPSR1FAAHDGKA
SCHEMBL27325180 0.89 NAAA (0.60) NAAARAD52NPSR1FAAHDGKA
SCHEMBL17219527 0.88 NAAA (0.59) NAAARAD52NPSR1FAAHDGKA
Propionic Acid SCHEMBL22345230 0.87 NAAA (0.59) NAAARAD52NPSR1FAAHDGKA
Propionic Acid SCHEMBL27981082 0.86 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
Propionic Acid SCHEMBL22345225 0.86 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
SCHEMBL16153182 0.83 ATM (0.52) NAAARAD52NPSR1FAAHDGKA
Propionic Acid SCHEMBL7647609 0.80 NAAA (0.81) NAAARAD52NPSR1FAAHDGKA

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-2020165069-A1 NON-CHLORINATED OPEN PLANT CLEANING COMPOSITION BASF SE (DE) 2020-08-20 WO disclosed