SCHEMBL2598916

SCHEMBL2598916

CC(C)(C)C(=O)OCOP(=O)(O)C(O)(CCCN)P(=O)(O)OCOC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.46
PDE3A Q14432 2/20 0.46
BTN3A1 O00481 5/20 0.38
ALDH1A1 P00352 1/20 0.37
ENO1 P06733 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
LMNA P02545 1/20 0.33
ADRB3 P13945 1/20 0.33
PDE4D Q08499 1/20 0.33
GGPS1 O95749 3/20 0.31
ABCB11 O95342 1/20 0.30
POLA1 P09884 1/20 0.30
POLG P54098 1/20 0.30
FAP Q12884 1/20 0.30
SLC22A6 Q4U2R8 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
SCHEMBL2455044 0.94 FDPS (0.51) FDPSPDE3ABTN3A1ALDH1A1ENO1
SCHEMBL2458967 0.93 FDPS (0.42) FDPSPDE3ABTN3A1ALDH1A1ENO1
SCHEMBL9188504 0.92 FDPS (0.41) FDPSPDE3ABTN3A1ALDH1A1ENO1
SCHEMBL2459616 0.87 ALDH1A1 (0.44) FDPSPDE3ABTN3A1ALDH1A1ENO1
SCHEMBL2456971 0.86 FDPS (0.51) FDPSPDE3ABTN3A1ALDH1A1ENO1
SCHEMBL2457078 0.85 FDPS (0.50) FDPSPDE3ABTN3A1ALDH1A1ENO1
SCHEMBL2456571 0.84 ALDH1A1 (0.42) FDPSPDE3ABTN3A1ALDH1A1ENO1
SCHEMBL2463502 0.81 FDPS (0.40) FDPSPDE3AALDH1A1
SCHEMBL9849489 0.81 BTN3A1 (0.35) BTN3A1ALDH1A1ENO1FNTAFNTB
SCHEMBL9187926 0.80 BTN3A1 (0.36) FDPSBTN3A1ALDH1A1ENO1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP claimed
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US claimed
EP-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 EP claimed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
EP-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP disclosed
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US disclosed
EP-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 EP disclosed