SCHEMBL28812185

SCHEMBL28812185

O=C(O)CCCCC(CO)CCCO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.56
FFAR4 Q5NUL3 2/20 0.56
GPR84 Q9NQS5 1/20 0.56
GSTK1 Q9Y2Q3 2/20 0.55
CAMK2A Q9UQM7 1/20 0.54
LMNA P02545 3/20 0.48
NFKB1 P19838 2/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
ENPEP Q07075 1/20 0.44
PTPN1 P18031 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
AKR1B1 P15121 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4804073 0.94 FFAR1 (0.67) FFAR1FFAR4GPR84GSTK1CAMK2A
SCHEMBL4802389 0.94 FFAR1 (0.67) FFAR1FFAR4GPR84GSTK1CAMK2A
SCHEMBL4799685 0.94 FFAR1 (0.67) FFAR1FFAR4GPR84GSTK1CAMK2A
Adipic Acid SCHEMBL7027047 0.93 FFAR1 (0.58) FFAR1FFAR4GPR84GSTK1CAMK2A
SCHEMBL3596883 0.93 GSTK1 (0.61) FFAR1FFAR4GPR84GSTK1CAMK2A
Sebacic Acid SCHEMBL28022261 0.91 GPR84 (0.62) FFAR1FFAR4GPR84GSTK1CAMK2A
SCHEMBL4796411 0.91 GSTK1 (0.63) FFAR1FFAR4GPR84GSTK1LMNA
SCHEMBL15264615 0.91 GSTK1 (0.63) FFAR1FFAR4GPR84GSTK1LMNA
SCHEMBL2181037 0.91 GSTK1 (0.63) FFAR1FFAR4GPR84GSTK1LMNA
SCHEMBL31109139 0.91 GSTK1 (0.63) FFAR1FFAR4GPR84GSTK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082156-A Preparation method of dichloro methyl octanoate 江西联陆生物科技有限公司 2023-05-09 CN disclosed
CN-116082156-A Preparation method of dichloro methyl octanoate 江西联陆生物科技有限公司 2023-05-09 CN disclosed
CN-114907242-A Synthesis method of 8-mercapto-6-oxooctanoic acid 诚达药业股份有限公司 2022-08-16 CN disclosed
CN-114874184-A Synthetic method of lipoic acid 诚达药业股份有限公司 2022-08-09 CN disclosed