Medronic Acid

Medronic Acid

SCHEMBL3791313

NCCCCCC(N)N.NCCCCCC(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.O=P(O)(O)CP(=O)(O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ LAP3 P28838 2/20 0.42
▸ GSR P00390 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ FDPS P14324 1/20 0.39
▸ S1PR2 O95136 5/20 0.39
▸ S1PR1 P21453 5/20 0.39
▸ S1PR3 Q99500 5/20 0.39
▸ S1PR4 O95977 4/20 0.39
▸ ANPEP P15144 2/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ OTC P00480 1/20 0.38

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
Medronic Acid SCHEMBL5159603 0.84 THRB (0.59) LMNACYP3A4NFKB1BLMPMP22
Medronic Acid SCHEMBL1424027 0.84 THRB (0.59) LMNACYP3A4NFKB1BLMPMP22
Medronic Acid SCHEMBL6664306 0.84 THRB (0.59) LMNACYP3A4NFKB1BLMPMP22
Medronic Acid SCHEMBL10982969 0.84 THRB (0.59) LMNACYP3A4NFKB1BLMPMP22
Medronic Acid SCHEMBL180702 0.84 THRB (0.59) LMNACYP3A4NFKB1BLMPMP22
Medronic Acid SCHEMBL10976068 0.84 THRB (0.59) LMNACYP3A4NFKB1BLMPMP22
Medronic Acid SCHEMBL10985795 0.84 THRB (0.59) LMNACYP3A4NFKB1BLMPMP22
Diaminooctane SCHEMBL10974775 0.84 THRB (0.59) LMNACYP3A4NFKB1BLMPMP22
Medronic Acid SCHEMBL6363918 0.82 THRB (0.56) LMNACYP3A4NFKB1BLMPMP22
Medronic Acid SCHEMBL6837061 0.82 THRB (0.56) LMNACYP3A4NFKB1BLMPMP22

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-20120136171-A1 METHOD FOR THE MANUFACTURE OFAMINO ALKYLENE PHOSPHONIC ACIDS STRAITMARK HOLDING AG (CH) 2012-05-31 — — US disclosed
WO-2010136566-A1 METHOD FOR THE MANUFACTURE OF AMINO ALKYLENE PHOSPHONIC ACIDS STRAITMARK HOLDING AG (CH) 2010-12-02 — — WO disclosed
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