Butyric Acid

Butyric Acid

SCHEMBL526832

CCCC(=O)[O-].CCCCc1[nH]cc[n+]1C

nearest known ligand 0.41

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 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
CA1 P00915 1/20 0.38
CA2 P00918 2/20 0.35
GPR84 Q9NQS5 3/20 0.34
NFKB1 P19838 1/20 0.34
FABP3 P05413 4/20 0.33
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL528118 0.91 GPR84 (0.36) CA1CA2GPR84
Levulinic Acid SCHEMBL535036 0.90 CA1 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Beta-Alanine SCHEMBL16346339 0.90 CA1 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
Acetic Acid SCHEMBL232563 0.89 GPR84 (0.33) GPR84
Bicarbonate SCHEMBL1490995 0.89 ALDH1A1 (0.34) GPR84NFKB1
SCHEMBL535111 0.85 CA1 (0.34) CA1CA2GPR84NPC1SMN1; SMN2
Pivalate SCHEMBL15287009 0.85 NPC1 (0.32) GPR84NPC1
L-Lactic Acid SCHEMBL3643630 0.84 CA1 (0.33) CA1GPR84NPC1SMN1; SMN2
SCHEMBL107551 0.84 HRH3 (0.34) GPR84
Acetic Acid SCHEMBL15575254 0.84 GPR84 (0.38) CA1CA2GPR84SMN1; SMN2

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-2012015589-A2 TREATMENT OF A HYDROCARBON FEED CHEVRON U.S.A. INC. (US) 2012-02-02 WO disclosed