Hexanoate

Hexanoate

SCHEMBL935031

CCCC(OC)C(=O)O.CCCCCC(=O)O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.57
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 7/20 0.55
PPARD Q03181 7/20 0.55
PPARA Q07869 7/20 0.55
HDAC11 Q96DB2 5/20 0.55
TSHR P16473 4/20 0.55
PTPN1 P18031 3/20 0.55
ALDH1A1 P00352 3/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
FABP4 P15090 2/20 0.55
FFAR1 O14842 2/20 0.55
FFAR4 Q5NUL3 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL4442205 0.86 ALDH1A1 (0.52) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL10347459 0.85 CA2 (0.47) GPR84PPARGPPARDPPARATDP1
SCHEMBL25516 0.84
SCHEMBL10304982 0.84
SCHEMBL31326241 0.83 ALDH1A1 (0.50) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2137285 0.83 GPR84 (0.52) GPR84PPARDFFAR1MAPT
SCHEMBL2553409 0.81 GPR84 (0.55) GPR84PPARDFFAR1FFAR4KMT2A
SCHEMBL3858716 0.81 GPR84 (0.55) GPR84PPARDFFAR1FFAR4KMT2A
SCHEMBL3858039 0.81 GPR84 (0.55) GPR84PPARDFFAR1FFAR4KMT2A
SCHEMBL2556958 0.81 GPR84 (0.55) GPR84PPARDFFAR1FFAR4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454017-B1 REACTIVE SYSTEMS ELANTAS GMBH (DE) 2015-03-18 EP disclosed
EP-2454017-A1 REACTIVE SYSTEMS Elantas GmbH (DE) 2012-05-23 EP disclosed
WO-2011006798-A1 REACTIVE SYSTEMS ELANTAS GMBH (DE) 2011-01-20 WO disclosed
EP-0856533-B1 Coatings based on polymers containing hydroxyl groups DU PONT (US) 2003-07-30 EP disclosed
EP-0856533-A1 Polymers containing hydroxyl groups and a process for their preparation Herberts Gesellschaft mit beschränkter Haftung (DE) 1998-08-05 EP disclosed