Butyric Acid

Butyric Acid

SCHEMBL28323958

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

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.65
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
THRB P10828 1/20 0.50
AKR1B1 P15121 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 5/20 0.42
PTPN1 P18031 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
Butyric Acid SCHEMBL27520533 0.90 FFAR3 (0.72) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL28032995 0.87 FFAR3 (0.68) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL5571479 0.85 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Pivalate SCHEMBL4631688 0.84 FFAR3 (0.72) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL25368528 0.83 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Deanol SCHEMBL11695057 0.83 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Adipic Acid SCHEMBL15656240 0.82 LMNA (0.58) ALDH1A1MEN1KMT2ATHRBAKR1B1
Butyric Acid SCHEMBL5574351 0.81 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL15610536 0.81
Butyric Acid SCHEMBL611372 0.81

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
CN-110382084-A Process for removing acid gases from fluid streams 巴斯夫欧洲公司 2019-10-25 CN disclosed