Hexanoate

Hexanoate

SCHEMBL1567038

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

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.67
GPR84 Q9NQS5 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 7/20 0.64
PPARA Q07869 7/20 0.64
HDAC11 Q96DB2 5/20 0.64
TSHR P16473 4/20 0.64
PTPN1 P18031 3/20 0.64
FABP4 P15090 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TLR2 O60603 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
MEN1 O00255 1/20 0.64
ESR1 P03372 1/20 0.64
PDE4A P27815 1/20 0.64

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 SCHEMBL31083836 0.98 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Hexane SCHEMBL8003172 0.89 EP300 (0.46) AKR1B1GPR84PPARGPPARDPPARA
Hexane SCHEMBL8003174 0.89 EP300 (0.46) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL6358497 0.82 GPR84 (0.85) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL27504419 0.82 AKR1B1 (0.89) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL1238288 0.82 AKR1B1 (0.89) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL6244250 0.82 AKR1B1 (0.89) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL755716 0.82 AKR1B1 (0.89) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL385943 0.82 AKR1B1 (0.89) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL386272 0.82 AKR1B1 (0.89) 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-2307070-A2 MEDICAL DEVICES HAVING METAL COATINGS FOR CONTROLLED DRUG RELEASE Boston Scientific Scimed, Inc. (US) 2011-04-13 EP disclosed
WO-2010085794-A2 ATRAUMATIC STENT AND METHOD AND APPARATUS FOR MAKING THE SAME BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-07-29 WO disclosed
WO-2010008969-A2 MEDICAL DEVICES HAVING METAL COATINGS FOR CONTROLLED DRUG RELEASE BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-01-21 WO disclosed