SCHEMBL8766635

SCHEMBL8766635

CN(Cc1cccnc1)C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
FDPS P14324 6/20 0.42
RIPK1 Q13546 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MC4R P32245 1/20 0.41
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 2/20 0.41

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
SCHEMBL7124088 0.87 HMGCR (0.47) NR1H4FDPSRIPK1ALOX5PTGS1
SCHEMBL8767384 0.78 NR1H4 (0.45) NR1H4FDPSRIPK1ALOX5PTGS1
SCHEMBL8150112 0.72 ALDH1A1 (0.43) NR1H4RIPK1ALOX5PTGS1PTGS2
SCHEMBL7123113 0.71 PKM (0.41) ALDH1A1TP53MAPTALOX15NPSR1
SCHEMBL7122163 0.69 NR1H4 (0.42) NR1H4RIPK1ALOX5PTGS1PTGS2
SCHEMBL7128467 0.69 ALOX5 (0.46) NR1H4FDPSALOX5PTGS1PTGS2
SCHEMBL8142160 0.69 LMNA (0.46) NR1H4ALOX5PTGS1PTGS2LMNA
SCHEMBL8766605 0.69 FDPS (0.41) FDPSLMNAGAAMEN1KMT2A
SCHEMBL8003353 0.69 HMGCR (0.47) NR1H4ALOX5PTGS1PTGS2LMNA
SCHEMBL7127837 0.68 GAA (0.38) LMNAALDH1A1TP53MAPTALOX15

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 1 patent. 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