SCHEMBL9190671

SCHEMBL9190671

O=C(NCCC(O)(P(=O)(O)O)P(=O)(O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FDPS P14324 5/20 0.56
HTT P42858 1/20 0.56
TGM2 P21980 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
MAPT P10636 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL3726894 0.92 HTT (0.60) LMNASMN1; SMN2FDPSHTTTGM2
SCHEMBL8056545 0.88 LMNA (0.49) LMNASMN1; SMN2FDPSHTTTGM2
SCHEMBL8049635 0.87 LMNA (0.57) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL8050092 0.85 LMNA (0.55) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL8038108 0.85 LMNA (0.54) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL2520296 0.81 SMN1; SMN2 (0.63) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL13055383 0.80 LMNA (0.80) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL8038121 0.80 HTT (0.55) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL863804 0.80 LMNA (0.65) LMNASMN1; SMN2HTTTGM2L3MBTL1
SCHEMBL8026594 0.80 SMN1; SMN2 (0.65) LMNASMN1; SMN2HTTTGM2L3MBTL1

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 4 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 disclosed
EP-0563096-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 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