Valeric Acid

Valeric Acid

SCHEMBL8526288

CC(O)CN.CCCCC(=O)O

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.56
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 6/20 0.54
TSHR P16473 5/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
FFAR1 O14842 2/20 0.54
FFAR4 Q5NUL3 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54

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
Stearic Acid SCHEMBL8823863 0.92 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL1960959 0.92 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL1962322 0.92 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL4653620 0.92 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL29134031 0.87 AKR1B1 (0.56) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL1830437 0.86 AKR1B1 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL25220679 0.84 AKR1B1 (0.58) AKR1B1GPR84PPARGPPARDPPARA
Succinic Acid SCHEMBL5550345 0.84 AKR1B1 (0.58) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL28679042 0.84 AKR1B1 (0.58) AKR1B1GPR84PPARGPPARDPPARA
Valeric Acid SCHEMBL21145338 0.84 AKR1B1 (0.64) AKR1B1GPR84PPARGPPARDPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880575-A1 MACHINING FLUID COMPOSITION AND METHOD OF MACHINING CINCINNATI MILACRON INC. (US) 1998-12-02 EP disclosed
WO-1998013444-A1 MACHINING FLUID COMPOSITION AND METHOD OF MACHINING CINCINNATI MILACRON INC. (US) 1998-04-02 WO disclosed
US-5716917-A AQUEOUS MIXTURE CONTAINING NATURAL ORGANIC LUBRICANT, SURFACTANTS AND WATER SOLUBLE CATIONIC MICROBIOCIDE CINCINNATI MILACRON INC. (US) 1998-02-10 US disclosed