Medronic Acid

Medronic Acid

SCHEMBL2203515

CCCCCC.N.N.O=P(O)(O)CP(=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 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 6/20 0.59
▸ LPAR2 Q9HBW0 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MMP2 P08253 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ FDPS P14324 5/20 0.54
▸ LAP3 P28838 2/20 0.50
▸ S1PR2 O95136 5/20 0.46
▸ S1PR4 O95977 5/20 0.46
▸ S1PR1 P21453 5/20 0.46
▸ S1PR3 Q99500 5/20 0.46
▸ S1PR5 Q9H228 1/20 0.46
▸ LPAR1 Q92633 2/20 0.46

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
Hexane SCHEMBL22129547 0.88 LPAR3 (0.65) LPAR3LPAR2FDPSLAP3S1PR2
Medronic Acid SCHEMBL16196104 0.86 DNM1 (0.56) LPAR3LPAR2FDPSLAP3
Tetrabuthylammonium SCHEMBL1653058 0.85 SLC22A1 (0.57) LPAR3LPAR2KDM4EMMP2THRB
Hexane SCHEMBL8829468 0.84 LPAR3 (0.60) LPAR3LPAR2FDPSLAP3LPAR1
Hexane SCHEMBL28982363 0.84 LPAR3 (0.60) LPAR3LPAR2FDPSLAP3LPAR1
Decylamine SCHEMBL5935326 0.83 DNM1 (0.59) LPAR3LPAR2FDPSLAP3
Medronic Acid SCHEMBL11773137 0.83 DNM1 (0.59) LPAR3LPAR2FDPSLAP3
Dodecylamine SCHEMBL11346146 0.83 DNM1 (0.59) LPAR3LPAR2FDPSLAP3
Nonane SCHEMBL11301883 0.81 LPAR3 (0.65) LPAR3LPAR2THRBFDPSLPAR1
Hexane SCHEMBL27653577 0.81 LPAR3 (0.57) LPAR3LPAR2FDPSLAP3LPAR1

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-1264007-B1 Metal oxides dispersant composition ASHLAND LICENSING & INTELLECTU (US) 2011-07-20 — — EP disclosed
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