SCHEMBL7128246

SCHEMBL7128246

CCCc1cc(N(CP(=O)(OCC)OCC)c2cccnc2)cc(OC)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.35
PTGS2 P35354 4/20 0.35
ERN1 O75460 2/20 0.35
PTGS1 P23219 1/20 0.35
KCNA5 P22460 2/20 0.34
KCNN4 O15554 1/20 0.34
CRHR1 P34998 1/20 0.33
PTAFR P25105 1/20 0.33
RECQL P46063 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOTUM Q6P988 1/20 0.32
TSHR P16473 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
SCHEMBL8614438 0.94 ALOX5 (0.38) ALOX5PTGS2ERN1KCNA5KCNN4
SCHEMBL7119084 0.91 ERN1 (0.39) ERN1KCNA5KCNN4CRHR1RECQL
SCHEMBL7130110 0.89 PTAFR (0.35) ALOX5PTGS2ERN1PTGS1KCNA5
SCHEMBL7131867 0.89 ERN1 (0.34) ERN1KCNA5KCNN4CRHR1RECQL
SCHEMBL8015438 0.87 NOTUM (0.38) ALOX5PTGS2ERN1PTGS1KCNA5
SCHEMBL7123787 0.84 POLB (0.41) KCNA5KCNN4MEN1KMT2AMAPK1
SCHEMBL7117974 0.83 PTAFR (0.37) ALOX5PTGS2ERN1PTAFR
SCHEMBL7126915 0.83 PDE4D (0.42) ERN1KCNA5KCNN4RECQLMEN1
SCHEMBL7129895 0.81 ERN1 (0.41) ERN1KCNA5RECQLBLMMAPK1
SCHEMBL7119797 0.80 NOTUM (0.39) ALOX5PTGS2PTGS1KCNA5KCNN4

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 7 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
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