Hexanoate

Hexanoate

SCHEMBL29016014

CCCCCC(=O)O.Clc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.61
PPARG P37231 8/20 0.59
PPARD Q03181 8/20 0.59
PPARA Q07869 8/20 0.59
GPR84 Q9NQS5 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 4/20 0.59
PTPN1 P18031 3/20 0.59
FFAR1 O14842 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
KMT2A Q03164 2/20 0.59
ESR1 P03372 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ALOX15 P16050 1/20 0.59
PDE4A P27815 1/20 0.59

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 SCHEMBL28056278 0.98 GPR84 (0.63) AKR1B1PPARGPPARDPPARAGPR84
Hexanoate SCHEMBL29016049 0.89 AKR1B1 (0.57) AKR1B1PPARGPPARDPPARAGPR84
Chlorobenzene SCHEMBL28208301 0.86 HDAC3 (0.56) HDAC11TSHRFFAR1ALDH1A1MAPT
Glutarate SCHEMBL28366860 0.86 ALDH1A1 (0.58) HDAC11TSHRALDH1A1SLC22A6MAPT
3-Octanone SCHEMBL28128945 0.85 CES2 (0.50) AKR1B1ALDH1A1KMT2AMEN1MAPT
Hexanoate SCHEMBL28553793 0.85 AKR1B1 (0.57) AKR1B1PPARGPPARDPPARAGPR84
Adipic Acid SCHEMBL28208307 0.85 HDAC3 (0.48) HDAC11TSHRALDH1A1FABP4FABP5
Chlorobenzene SCHEMBL27740841 0.84 HDAC3 (0.54) HDAC11TSHRFFAR1ALDH1A1MAPT
Naphthalene SCHEMBL28148380 0.84 AKR1B1 (0.67) AKR1B1PPARGPPARDPPARAGPR84
Biphenyl SCHEMBL27337978 0.84 AKR1B1 (0.67) AKR1B1PPARGPPARDPPARAGPR84

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
CN-117924543-A Catalyst component for preparing olefin polymer, preparation method, catalyst and application 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-112759676-B Solid catalyst component for preparing polyolefin, catalyst and application thereof 中国石油化工股份有限公司 2023-08-15 CN disclosed
CN-112759675-B Catalyst component for preparing polyolefin, catalyst and application thereof 中国石油化工股份有限公司 2023-05-02 CN disclosed