Medronic Acid

Medronic Acid

SCHEMBL14958162

O=P(O)(O)C(N(CCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)CCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O)P(=O)(O)O.O=P(O)(O)CP(=O)(O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.54
KDM4E B2RXH2 1/20 0.43
MMP2 P08253 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 1/20 0.30
OTC P00480 1/20 0.30

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
SCHEMBL10945040 0.93 FDPS (0.60) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL6740726 0.93 FDPS (0.60) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL62120 0.93 FDPS (0.60) FDPSKDM4EMMP2THRBMAPK1
Medronic Acid SCHEMBL11402591 0.92 FDPS (0.47) FDPSKDM4EMMP2THRBMAPK1
Ammonia Solution, Strong SCHEMBL3285845 0.91 FDPS (0.58) FDPSANPEPERAP2
SCHEMBL1131662 0.91 FDPS (0.58) FDPSANPEPERAP2
SCHEMBL3982162 0.85 FDPS (0.52) FDPS
Water SCHEMBL5162738 0.83 FDPS (0.50) FDPS
SCHEMBL38156 0.83 FDPS (0.50) FDPSKDM4EMMP2THRBMAPK1
SCHEMBL2811852 0.83 FDPS (0.48) FDPSANPEPERAP2

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
WO-2013074202-A1 SILICATE FREE REFINER BLEACHING BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2013-05-23 WO disclosed
US-20130126109-A1 Silicate Free Refiner Bleaching BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2013-05-23 US disclosed