Propionic Acid

Propionic Acid

SCHEMBL28070170

CCC(=O)O.CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Ca+2].[Mg+2]

nearest known ligand 0.69

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR3 O14843 4/20 0.62
▸ HDAC3 O15379 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ CA1 P00915 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CASP1 P29466 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ CA2 P00918 1/20 0.33

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 SCHEMBL7152291 0.97 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL81542 0.97 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL18838064 0.94 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL18911561 0.90 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL2128599 0.90 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL11213687 0.90 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL11251003 0.90 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL9350568 0.90 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL28515466 0.90 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL11170639 0.90 FFAR3 (0.67) FFAR3HDAC3HDAC1HDAC2HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105746904-A Propionic acid acetate and additive 湖南晶天科技实业有限公司 2016-07-13 — — CN claimed
CN-105746904-A Propionic acid acetate and additive 湖南晶天科技实业有限公司 2016-07-13 — — CN disclosed
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