SCHEMBL9168908

SCHEMBL9168908

CCCCCCCCCCCCCOC(=O)CCc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.52
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IAPP P10997 1/20 0.45
DGKA P23743 1/20 0.44
KAT8 Q9H7Z6 2/20 0.44
CNR1 P21554 2/20 0.44
HTR1A P08908 2/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL3468016 1.00 APP (0.52) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL2184521 1.00 APP (0.52) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL9169755 1.00 APP (0.52) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL5527871 0.95 APP (0.57) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL439039 0.90 DGKA (0.50) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL4638212 0.87 APP (0.49) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL3250259 0.87 GAA (0.49) GAADGKACNR1CNR2
SCHEMBL13899816 0.86 GAA (0.53) GAADGKACNR1CNR2
SCHEMBL754404 0.86 GAA (0.53) GAADGKACNR1CNR2
SCHEMBL208070 0.86 GAA (0.53) GAADGKACNR1CNR2

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-0335262-B1 Phosphite compounds YOSHITOMI PHARMACEUTICAL (JP) 1995-05-31 EP disclosed
US-5077424-A Antioxidants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-12-31 US disclosed
EP-0335262-A2 Phosphite compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-04 EP disclosed