SCHEMBL7129895

SCHEMBL7129895

COc1cc(N(CP(=O)(OC)OC)c2cccnc2)cc(OC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
KCNA5 P22460 1/20 0.39
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NOTUM Q6P988 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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) ERN1KCNA5TSHRRECQLPOLB
SCHEMBL7126919 0.89 ERN1 (0.38) ERN1KCNA5TSHRRECQLPOLB
SCHEMBL8015438 0.84 NOTUM (0.38) ERN1KCNA5TSHRRECQLPOLB
SCHEMBL8611255 0.84 ALOX5 (0.43) KCNA5RECQLGAAALOX15ALDH1A1
SCHEMBL7121061 0.83 ERN1 (0.36) ERN1KCNA5TSHRRECQLPOLB
SCHEMBL7128246 0.81 ALOX5 (0.35) ERN1KCNA5TSHRRECQLPOLB
SCHEMBL7126160 0.81 RAB9A (0.34) ERN1KCNA5TSHRRECQLSMN1; SMN2
SCHEMBL7131867 0.80 ERN1 (0.34) ERN1KCNA5TSHRRECQLPOLB
SCHEMBL7130110 0.80 PTAFR (0.35) ERN1KCNA5ALDH1A1LMNAPDE4D
SCHEMBL8614438 0.80 ALOX5 (0.38) ERN1KCNA5

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-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