SCHEMBL8767353

SCHEMBL8767353

CC(C)(C)c1cc(N(CCc2ccccn2)CP(=O)(O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 2/20 0.47
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
FDPS P14324 2/20 0.39
RAF1 P04049 2/20 0.39
MAP2K1 Q02750 2/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8766589 0.88 GAA (0.47) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL7125849 0.86 MEN1 (0.45) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL8616827 0.83 GAA (0.47) MEN1KMT2AGAAALDH1A1FDPS
SCHEMBL8766658 0.80 MEN1 (0.46) MEN1KMT2AGAAFDPSCYP1A2
SCHEMBL8766760 0.79 MEN1 (0.45) MEN1KMT2AGAAFDPSCYP1A2
SCHEMBL8766734 0.79 ESRRG (0.41) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL8766645 0.77 FDPS (0.41) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL8767015 0.77 MEN1 (0.47) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL7117955 0.75 GAA (0.43) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL7119728 0.74 GAA (0.41) MEN1KMT2AGAAALDH1A1NPSR1

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