Propionic Acid

Propionic Acid

SCHEMBL7874629

CC(C)[P+](C(C)C)(C(C)C)C(C)C.CCC(=O)[O-]

nearest known ligand 0.65

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
CA1 P00915 4/20 0.42
FFAR3 O14843 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
BBOX1 O75936 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CA4 P22748 1/20 0.35

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 SCHEMBL7874608 0.85 CA2 (0.46) CA2CA1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL1036588 0.84 CA2 (0.50) CA2CA1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL31152606 0.79 CA2 (0.46) CA2CA1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL19307808 0.79 CA2 (0.46) CA2CA1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL1332291 0.77
Propionic Acid SCHEMBL15515998 0.77 FFAR3 (0.59) CA2CA1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL1313171 0.77 FFAR3 (0.53) CA2CA1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL6918377 0.77
Propionic Acid SCHEMBL48908 0.77
Propionic Acid SCHEMBL4896693 0.77 FFAR3 (0.53) CA1FFAR3HDAC3HDAC1HDAC2

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-6316575-B1 MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 2001-11-13 US claimed