Hexanoate

Hexanoate

SCHEMBL1684007

CC(=O)CC(C)C.CCCCCC(=O)O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.64
GPR84 Q9NQS5 7/20 0.61
PPARG P37231 7/20 0.61
PPARD Q03181 7/20 0.61
PPARA Q07869 7/20 0.61
HDAC11 Q96DB2 5/20 0.61
TSHR P16473 4/20 0.61
PTPN1 P18031 3/20 0.61
ALDH1A1 P00352 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
TLR2 O60603 2/20 0.61
FABP4 P15090 2/20 0.61
KMT2A Q03164 2/20 0.61
FFAR1 O14842 2/20 0.61
FFAR4 Q5NUL3 2/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
SLC22A8 Q8TCC7 1/20 0.61
MEN1 O00255 1/20 0.61

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
Dodecanoate SCHEMBL27819984 0.98 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL27493355 0.91 GPR84 (0.57) AKR1B1GPR84PPARGPPARDPPARA
Methyl Isobutyl Ketone SCHEMBL28213877 0.90 ALDH1A1 (0.64) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL27844434 0.88 GPR84 (0.53) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL7904664 0.88 AKR1B1 (0.70) AKR1B1GPR84PPARGPPARDPPARA
Methyl Isobutyl Ketone SCHEMBL9045794 0.88 ALDH1A1 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Methyl Isobutyl Ketone SCHEMBL5000849 0.87 ALDH1A1 (0.74) AKR1B1GPR84ALDH1A1TDP1KMT2A
Methyl Isobutyl Ketone SCHEMBL2340589 0.87 ALDH1A1 (0.74) AKR1B1GPR84ALDH1A1TDP1KMT2A
Octanoic Acid SCHEMBL15528089 0.86 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL15527828 0.86 GPR84 (0.71) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241605-B1 PHA BLENDS CJ CHEILJEDANG CORP (KR) 2017-07-12 EP disclosed
EP-1603987-B1 PHA BLENDS METABOLIX INC (US) 2011-08-03 EP disclosed
US-7928167-B2 PHA blends METABOLIX INC. (US) 2011-04-19 US disclosed
US-20100305280-A1 PHA BLENDS METABOLIX, INC. 2010-12-02 US disclosed
EP-2241605-A2 Pha blends METABOLIX, INC. (US) 2010-10-20 EP disclosed
US-7781539-B2 PHA blends METABOLIX INC. (US) 2010-08-24 US disclosed
EP-1935945-A1 PHA Blends Metabolix, Inc. (US) 2008-06-25 EP disclosed
EP-1603987-A1 PHA BLENDS Metabolix, Inc. (US) 2005-12-14 EP disclosed
US-20040220355-A1 PHA blends CJ CHEILJEDANG CORPORATION (KR) 2004-11-04 US disclosed
WO-2004076582-A1 PHA BLENDS METABOLIX INC. (US) 2004-09-10 WO disclosed
US-4871548-A Controlled release dosage form comprising different cellulose ethers ALZA CORPORATION (US) 1989-10-03 US disclosed