SCHEMBL7128467

SCHEMBL7128467

CC(C)(C)c1cc(N(CP(=O)(O)O)c2cccnc2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
MC4R P32245 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL8611255 0.87 ALOX5 (0.43) ALOX5PTGS2PTGS1LMNAALDH1A1
SCHEMBL7120195 0.85 HMGCR (0.43) ALOX5PTGS2PTGS1LMNAALDH1A1
SCHEMBL8766614 0.84 GAA (0.49) ALOX5PTGS2PTGS1LMNAALDH1A1
SCHEMBL8612757 0.84 HMGCR (0.42) ALOX5PTGS2PTGS1LMNAALDH1A1
SCHEMBL8767384 0.80 NR1H4 (0.45) ALOX5PTGS2PTGS1LMNAALDH1A1
SCHEMBL8766961 0.80 GAA (0.39) PTGS2PTGS1LMNAALDH1A1MEN1
SCHEMBL7129122 0.80 HMGCR (0.38) ALOX5PTGS2PTGS1LMNAALDH1A1
SCHEMBL8766028 0.79 LMNA (0.40) ALOX5PTGS2PTGS1LMNAALDH1A1
SCHEMBL8766469 0.77 LMNA (0.38) ALOX5PTGS2PTGS1LMNAALDH1A1
SCHEMBL8766637 0.75 CA1 (0.46) ALOX5LMNAALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559079-B1 Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR SA (CH) 1997-08-13 EP 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