SCHEMBL9794690

SCHEMBL9794690

O=P(O)(O)C(O)(COCC1CCCCN1)P(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.65
LTA4H P09960 12/20 0.35
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL9794733 0.95 FDPS (0.58) FDPSLTA4H
SCHEMBL8703776 0.79 FDPS (1.00) FDPSMEN1MITFLMNATP53
SCHEMBL8706931 0.78 FDPS (0.97) FDPSMEN1MITFLMNATP53
SCHEMBL9084725 0.76 FDPS (0.71) FDPSMEN1MITFLMNATP53
SCHEMBL9082964 0.74 FDPS (0.67) FDPSLMNAKMT2A
SCHEMBL9806694 0.74 FDPS (0.90) FDPSMEN1MITFLMNATP53
SCHEMBL3431791 0.74 FDPS (0.54) FDPSLTA4HMEN1MITFLMNA
SCHEMBL9806697 0.73 FDPS (0.65) FDPSLMNA
SCHEMBL8706934 0.73 FDPS (0.79) FDPSMEN1MITFLMNATP53
SCHEMBL6890158 0.71 FDPS (0.63) FDPSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002937-A Diphosphonic acid alkyloxyalkylamines for bone disorders BOEHRINGER MANNHEIM GMBH (DE) 1991-03-26 US disclosed
EP-0350002-A1 Diphosphonic-acid derivatives, process for their preparation and medicines containing those compounds Roche Diagnostics GmbH (DE) 1990-01-10 EP disclosed