SCHEMBL7123787

SCHEMBL7123787

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
BRAF P15056 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
KCNA5 P22460 2/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
LCK P06239 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
ZAP70 P43403 1/20 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
SCHEMBL7119084 0.90 ERN1 (0.39) POLBMAPK1CYP1A2L3MBTL1KDM4E
SCHEMBL8015438 0.86 NOTUM (0.38) POLBL3MBTL1KDM4EKCNA5ALDH1A1
SCHEMBL7126915 0.86 PDE4D (0.42) POLBCYP1A2KCNA5KMT2AMEN1
SCHEMBL7128246 0.84 ALOX5 (0.35) POLBMAPK1L3MBTL1KCNA5KMT2A
SCHEMBL8614438 0.82 ALOX5 (0.38) KCNA5KCNN4
SCHEMBL7131867 0.82 ERN1 (0.34) POLBMAPK1L3MBTL1KDM4EKCNA5
SCHEMBL7119797 0.81 NOTUM (0.39) HTTKDM4EKCNA5ALDH1A1KCNN4
SCHEMBL7119806 0.79 GAA (0.44) POLBMAPK1CYP1A2KDM4EALDH1A1
SCHEMBL7129895 0.79 ERN1 (0.41) POLBMAPK1CYP1A2L3MBTL1KDM4E
SCHEMBL7130009 0.79 KCNA5 (0.39) HTTKDM4EKCNA5ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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