Butyric Acid

Butyric Acid

SCHEMBL4091036

CC(=O)C(C)O.CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O.CC(C)=O.CCCC(=O)O.CCCCO.CCO

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Butyric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.31
FPR2 P25090 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
Demannose SCHEMBL4091029 0.88 FPR2 (0.34) FPR2NFKB1NFKB2RELA
Butyric Acid SCHEMBL4604017 0.86 FFAR3 (0.38) PRKCAFPR2NFKB1NFKB2RELA
Butyric Acid SCHEMBL15324264 0.78 KDM4E (0.31) PRKCA
Lactic Acid SCHEMBL18423690 0.77 FFAR3 (0.42)
Propionic Acid SCHEMBL4606286 0.77 LMNA (0.32)
SCHEMBL215097 0.75 MPI (0.36)
SCHEMBL2884877 0.75 MPI (0.36)
SCHEMBL426315 0.75 MPI (0.36)
SCHEMBL13430949 0.75 MPI (0.36)
Hexadecane SCHEMBL10787942 0.75 PRKCA (0.41) PRKCA

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
EP-2102351-A1 METHOD FOR PREPARING BUTANOL THROUGH BUTYRYL-COA AS AN INTERMEDIATE USING BACTERIA Biofuelchem Co., Ltd. (KR) 2009-09-23 EP disclosed
WO-2008072920-A1 METHOD FOR PREPARING BUTANOL THROUGH BUTYRYL-COA AS AN INTERMEDIATE USING BACTERIA BIOFUELCHEM CO., LTD. (KR) 2008-06-19 WO disclosed