SCHEMBL7119797

SCHEMBL7119797

CCOP(=O)(CN(c1cccnc1)c1cc(C)c(O)c(C)c1)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP2C19 P33261 3/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNA5 P22460 3/20 0.37
KCNN4 O15554 1/20 0.37
MAPT P10636 2/20 0.34
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2B6 P20813 1/20 0.34
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
PRKDC P78527 2/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL8015438 0.92 NOTUM (0.38) NOTUMALOX5PTGS1PTGS2CYP2C19
SCHEMBL7129122 0.91 HMGCR (0.38) NOTUMALOX5PTGS1PTGS2CYP2C19
SCHEMBL8584333 0.87 NOTUM (0.36) NOTUMALOX5PTGS1PTGS2CYP2C19
SCHEMBL7119084 0.86 ERN1 (0.39) NOTUMNPSR1KCNA5KCNN4MAPT
SCHEMBL7120195 0.85 HMGCR (0.43) NOTUMALOX5PTGS1PTGS2CYP2C19
SCHEMBL7130009 0.84 KCNA5 (0.39) NOTUMCYP2C19GFERNPSR1KCNA5
SCHEMBL7123787 0.81 POLB (0.41) KCNA5KCNN4ALDH1A1HTTKDM4E
SCHEMBL7128246 0.80 ALOX5 (0.35) NOTUMALOX5PTGS1PTGS2KCNA5
SCHEMBL7126915 0.80 PDE4D (0.42) NOTUMCYP2C19KCNA5KCNN4MAPT
SCHEMBL7119806 0.80 GAA (0.44) NOTUMCYP2C19NPSR1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660724-B1 Aminophosphonates alpha substituted by phenol; lipoprotein lowering activity ILEX PRODUCTS, INC. 2003-12-09 US claimed
US-6060464-A Compounds and pharmaceutical compositions containing them SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-09 US claimed
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP claimed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO claimed
US-6660724-B1 Aminophosphonates alpha substituted by phenol; lipoprotein lowering activity ILEX PRODUCTS, INC. 2003-12-09 US disclosed
US-6060464-A Compounds and pharmaceutical compositions containing them SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-09 US disclosed
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP disclosed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO disclosed