Hexanoate

Hexanoate

SCHEMBL28828199

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 5/20 0.50
PTPN1 P18031 3/20 0.50
FABP4 P15090 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
PDE4A P27815 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL28407338 0.93 TSHR (0.51) AKR1B1TSHRALDH1A1LMNAPOLB
SCHEMBL28403872 0.92 TSHR (0.54) GPR84PPARGPPARDPPARATSHR
SCHEMBL28398377 0.92 TSHR (0.54) GPR84PPARGPPARDPPARATSHR
SCHEMBL28173939 0.92 TSHR (0.54) GPR84PPARGPPARDPPARATSHR
SCHEMBL25428494 0.92 ABCC4 (0.44) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL27685839 0.90 TSHR (0.53) TSHRALDH1A1LMNAPOLBMAPT
SCHEMBL28137672 0.88 TSHR (0.44) TSHRALDH1A1LMNAMAPT
SCHEMBL27691616 0.84 ALDH1A1 (0.39) TSHRALDH1A1LMNAMAPT
SCHEMBL28774913 0.82 LMNA (0.42) TSHRALDH1A1LMNAMAPT
SCHEMBL28213970 0.82 LMNA (0.42) TSHRALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102648238-B The multi-purpose polymer of hydrolysis-stable LUBRIZOL ADVANCED MATERIALS, INC. (US) 2016-05-11 CN disclosed