Valeric Acid

Valeric Acid

SCHEMBL3416634

CCCCC(=O)O.CCCCCCCCCC(C)(C)N

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 4/20 0.59
PTPN1 P18031 3/20 0.59
FABP4 P15090 3/20 0.59
HSD17B10 Q99714 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KMT2A Q03164 2/20 0.59
ALOX15 P16050 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59
PDE4A P27815 1/20 0.59
PDE3A Q14432 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
Valeric Acid SCHEMBL7547365 1.00 GPR84 (0.59) GPR84PPARGPPARDPPARAHDAC11
Valeric Acid SCHEMBL3410666 0.98 AKR1B1 (0.58) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL3416660 0.96 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL3412856 0.96 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL28628353 0.92 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL3411942 0.89 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Sebacic Acid SCHEMBL10542742 0.88 TSHR (0.55) GPR84PPARGPPARDPPARAHDAC11
Bicarbonate SCHEMBL27083092 0.88 SMPD1 (0.50) GPR84PPARGPPARDPPARAHDAC11
Glycolic Acid SCHEMBL23466939 0.86 SMPD1 (0.46) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL3410844 0.86 AKR1B1 (0.64) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP claimed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO claimed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed