Medronic Acid

Medronic Acid

SCHEMBL9684269

CCCC(N)CC(N)C(P(=O)(O)O)P(=O)(O)O.O=P(O)(O)CP(=O)(O)O.O=P(O)(O)CP(=O)(O)O.O=P(O)(O)CP(=O)(O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.44
FDPS P14324 1/20 0.41
LAP3 P28838 5/20 0.39
S1PR2 O95136 7/20 0.39
S1PR1 P21453 7/20 0.39
S1PR3 Q99500 7/20 0.39
S1PR4 O95977 6/20 0.39
KDM4E B2RXH2 1/20 0.36
MMP2 P08253 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ANPEP P15144 3/20 0.34
ERAP1 Q9NZ08 1/20 0.34

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
SCHEMBL8396035 0.78 METAP1 (0.56) METAP1FDPSLAP3S1PR2S1PR1
Medronic Acid SCHEMBL2820764 0.77 METAP1 (0.50) METAP1FDPSLAP3S1PR2S1PR1
SCHEMBL5489933 0.75 FDPS (0.60) METAP1FDPSLAP3S1PR2S1PR1
SCHEMBL10601472 0.71 FDPS (0.56) METAP1FDPSLAP3S1PR2S1PR1
SCHEMBL87849 0.70 METAP1 (0.56) METAP1FDPSLAP3S1PR2S1PR1
SCHEMBL5059527 0.69 S1PR1 (0.71) METAP1FDPSLAP3S1PR2S1PR1
Medronic Acid SCHEMBL242844 0.67 LAP3 (0.59) METAP1FDPSLAP3KDM4EMMP2
Medronic Acid SCHEMBL1921134 0.66 KDM4E (0.62) METAP1FDPSLAP3KDM4EMMP2
Medronic Acid SCHEMBL18066158 0.66 KDM4E (0.62) METAP1FDPSLAP3KDM4EMMP2
Medronic Acid SCHEMBL28647857 0.66 KDM4E (0.62) METAP1FDPSLAP3KDM4EMMP2

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
US-5124046-A Adding synergistic mixture of water soluble terpolymer and phosphonate CALGON CORPORATION (US) 1992-06-23 US disclosed