SCHEMBL9823904

SCHEMBL9823904

O=C(O)C#CC(=O)O.O=C(O)C#CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
EGLN1 Q9GZT9 2/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
MAPK1 P28482 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
OR51E2 Q9H255 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
EPHX2 P34913 1/20 0.36
PTPN7 P35236 5/20 0.35
HMGCR P04035 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2396 0.97 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1MAPK1
SCHEMBL4970367 0.82 PTPN7 (0.50) LMNASLC22A6EPHX2PTPN7HMGCR
SCHEMBL4969753 0.80 PTPN7 (0.57) LMNASLC22A6EPHX2PTPN7HMGCR
SCHEMBL4972765 0.80 TBXAS1 (0.38) OR51E2TBXAS1
SCHEMBL4972079 0.80 LMNA (0.53) LMNAEGLN1ALKBH5SUCNR1MAPK1
Heptanoate SCHEMBL29243308 0.80 PTPN7 (0.67) OR51E2SLC22A6PTPN7HMGCRTSHR
SCHEMBL31520016 0.78 PTPN7 (0.61) LMNAEPHX2PTPN7HMGCRTSHR
SCHEMBL31520019 0.78 PTPN7 (0.61) LMNAEPHX2PTPN7HMGCRTSHR
SCHEMBL31520018 0.78 PTPN7 (0.61) LMNAEPHX2PTPN7HMGCRTSHR
SCHEMBL30966140 0.78 PTPN7 (0.61) LMNAEPHX2PTPN7HMGCRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181058-B Composition and quality control method thereof 武汉武药科技有限公司 2024-06-11 CN disclosed
EP-0160502-B1 Improvements in and relating to octahydrothiazolo[4,5-g]quinolines ELI LILLY AND COMPANY (US) 1991-09-25 EP disclosed