Butyric Acid

Butyric Acid

SCHEMBL7322909

CC(N)CCC(=O)O.CCCC(=O)O

nearest known ligand 0.82

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.82
GABRD O14764 2/20 0.82
GABRA1 P14867 2/20 0.82
GABRB1 P18505 2/20 0.82
GABRG2 P18507 2/20 0.82
GABRB3 P28472 2/20 0.82
GABRA5 P31644 2/20 0.82
GABRA3 P34903 2/20 0.82
GABRA2 P47869 2/20 0.82
GABRB2 P47870 2/20 0.82
GABRA4 P48169 2/20 0.82
GABRE P78334 2/20 0.82
GABRA6 Q16445 2/20 0.82
GABRG1 Q8N1C3 2/20 0.82
GABRG3 Q99928 2/20 0.82
GABRQ Q9UN88 2/20 0.82
FFAR3 O14843 1/20 0.59
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59

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
SCHEMBL288484 0.91
SCHEMBL932397 0.91
SCHEMBL15177649 0.91
Hydrochloric Acid SCHEMBL362693 0.88
Hydrochloric Acid SCHEMBL21724278 0.88
Butyric Acid SCHEMBL21145057 0.85 FFAR3 (0.72) GABRPGABRDGABRA1GABRB1GABRG2
Butyric Acid SCHEMBL5570444 0.84 OPRM1 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
Butyric Acid SCHEMBL1833626 0.83 FFAR3 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
Phosphoric Acid SCHEMBL19127731 0.82 GABRP (0.82) GABRPGABRDGABRA1GABRB1GABRG2
Butyric Acid SCHEMBL10947590 0.81 FFAR3 (0.65) GABRPGABRDGABRA1GABRB1GABRG2

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed