Hexanoate

Hexanoate

SCHEMBL8957484

CCCCCC(=O)O.Oc1ccc(O)cc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.70
GPR84 Q9NQS5 7/20 0.67
PPARG P37231 7/20 0.67
PPARD Q03181 7/20 0.67
PPARA Q07869 7/20 0.67
HDAC11 Q96DB2 5/20 0.67
TSHR P16473 4/20 0.67
PTPN1 P18031 3/20 0.67
ALDH1A1 P00352 2/20 0.67
TLR2 O60603 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
FABP4 P15090 2/20 0.67
SLC22A6 Q4U2R8 1/20 0.67
SLC22A8 Q8TCC7 1/20 0.67
MEN1 O00255 1/20 0.67
ESR1 P03372 1/20 0.67
ALOX15 P16050 1/20 0.67
PDE4A P27815 1/20 0.67
KMT2A Q03164 1/20 0.67
PDE3A Q14432 1/20 0.67

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
Hexanoate SCHEMBL10408135 1.00 AKR1B1 (0.70) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL10943656 0.98 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL10942082 0.98 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL10939868 0.98 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL10937199 0.98 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Undecanoate SCHEMBL2382548 0.98 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL10396577 0.98 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Hydroquinone SCHEMBL28490345 0.93 HSD17B3 (0.64) AKR1B1GPR84PPARGPPARDPPARA
Hydroquinone SCHEMBL10946294 0.93 HSD17B3 (0.64) AKR1B1GPR84PPARGPPARDPPARA
Hexanoate SCHEMBL5326387 0.92 AKR1B1 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4250245-A EMULSION LAYER CONTAINS A HYDROQUINONE ESTER OR SULFONATE EASTMAN KODAK COMPANY (US) 1981-02-10 US claimed
US-4201578-A HYDROQUINONE ESTERS EASTMAN KODAK COMPANY (US) 1980-05-06 US claimed
US-5527523-A PIGMENT-REMOVING ACTIVITY VIRBAC S.A. (FR) 1996-06-18 US disclosed
EP-0053010-B1 ACIDIC ADHESIVE COMPOSITIONS AND IMAGE RECORDING PRODUCTS CONTAINING SAME EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-01-09 EP disclosed
US-4357408-A NEUTRALIZATION; MASKING EASTMAN KODAK COMPANY (US) 1982-11-02 US disclosed
US-4357409-A NEUTRALIZATION, MASKING EASTMAN KODAK COMPANY (US) 1982-11-02 US disclosed
EP-0053010-A1 Acidic adhesive compositions and image recording products containing same EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1982-06-02 EP disclosed