SCHEMBL8504674

SCHEMBL8504674

CCCCCOC(=O)OOC(C)(C)CC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
EPHX1 P07099 1/20 0.42
ATM Q13315 1/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ACHE P22303 4/20 0.37

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
SCHEMBL5076033 0.95 ATM (0.47) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL7632396 0.88 NAAA (0.44) NAAAHCAR2EPHX1TSHRALDH1A1
SCHEMBL8387306 0.88 NAAA (0.43) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL80849 0.88 NAAA (0.47) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL82047 0.88 NAAA (0.47) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL11514255 0.88 NAAA (0.43) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL8505385 0.87 HCAR2 (0.38) HCAR2ATMTSHRALDH1A1LMNA
SCHEMBL11516902 0.86 NAAA (0.46) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL11516930 0.86 NAAA (0.46) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL11516943 0.86 NAAA (0.46) NAAAHCAR2EPHX1ATMTSHR

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
EP-0879224-A4 NOVEL POLY(MONOPEROXYCARBONATES) ATOCHEM NORTH AMERICA ELF (US) 1999-05-26 EP disclosed
EP-0879224-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-25 EP disclosed
WO-1998007684-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-02-26 WO disclosed