SCHEMBL7119806

SCHEMBL7119806

CCOc1cc(N(CP(=O)(OCC)OCC)c2cccnc2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.37
PSMD14 O00487 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7126915 0.92 PDE4D (0.42) GAAMEN1KMT2AMAPTPOLB
SCHEMBL8011691 0.89 GAA (0.42) GAAMKNK1MKNK2LMNAMEN1
SCHEMBL7130009 0.83 KCNA5 (0.39) GAALMNAMAPTALDH1A1THRB
SCHEMBL7119084 0.83 ERN1 (0.39) GAALMNAMAPTALDH1A1POLB
SCHEMBL7119797 0.80 NOTUM (0.39) MAPTALDH1A1KDM4ENPSR1NOTUM
SCHEMBL8015438 0.79 NOTUM (0.38) GAALMNAMEN1KMT2AMAPT
SCHEMBL7123787 0.79 POLB (0.41) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL7120195 0.77 HMGCR (0.43) GAALMNAMEN1KMT2AMAPT
SCHEMBL7128246 0.77 ALOX5 (0.35) MEN1KMT2APOLBTHRBRECQL
SCHEMBL8012576 0.77 KMT2A (0.43) GAALMNAMEN1KMT2AMAPT

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 4 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