Hexanoate

Hexanoate

SCHEMBL29010706

CCCCCC(=O)O.NC(=O)CCc1ncccn1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.48
PPARA Q07869 9/20 0.47
PPARG P37231 8/20 0.47
PPARD Q03181 8/20 0.47
GPR84 Q9NQS5 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 4/20 0.47
PTPN1 P18031 3/20 0.47
FFAR1 O14842 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
KMT2A Q03164 2/20 0.47
ESR1 P03372 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4A P27815 1/20 0.47

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
SCHEMBL2399053 0.78 MAPT (0.52) HDAC11TSHRALDH1A1MAPT
SCHEMBL2431568 0.76 SMN1; SMN2 (0.40) HDAC11ALDH1A1KMT2AMEN1TLR8
Palmitic Acid SCHEMBL10611193 0.76 GPR84 (0.81) AKR1B1PPARAPPARGPPARDGPR84
Dodecanoate SCHEMBL31465216 0.76 GPR84 (0.81) AKR1B1PPARAPPARGPPARDGPR84
Octadecanoic Acid Amide SCHEMBL31472277 0.76 GPR84 (0.81) AKR1B1PPARAPPARGPPARDGPR84
Hexanoate SCHEMBL9624938 0.76 GPR84 (0.81) AKR1B1PPARAPPARGPPARDGPR84
Hexanoate SCHEMBL8989255 0.76 GPR84 (0.81) AKR1B1PPARAPPARGPPARDGPR84
Behenic Acid SCHEMBL8945829 0.76 GPR84 (0.81) AKR1B1PPARAPPARGPPARDGPR84
Stearic Acid SCHEMBL4372745 0.76 GPR84 (0.81) AKR1B1PPARAPPARGPPARDGPR84
Stearic Acid SCHEMBL20912552 0.76 GPR84 (0.81) AKR1B1PPARAPPARGPPARDGPR84

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-116047052-A Allophycocyanin fluorescent tandem dye, preparation method thereof and antibody coupling method 苏州优逸兰迪生物科技有限公司 2023-05-02 CN disclosed