SCHEMBL2228571

SCHEMBL2228571

CCOC(=O)CN(CC(=O)OCC)c1sc(C(=O)O)c(CC(=O)O)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
FNTA P49354 6/20 0.34
FNTB P49356 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BRCA1 P38398 1/20 0.32
POLB P06746 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1922242 0.91 L3MBTL1 (0.40) L3MBTL1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4382831 0.91 ALDH1A1 (0.37) L3MBTL1ALDH1A1HSD17B10KDM4EHPGD
Ranelic Acid SCHEMBL500994 0.86 FNTA (0.37) FNTAFNTBKMT2AGRIA2GRIA4
Ranelic Acid SCHEMBL1289746 0.86 FNTA (0.37) FNTAFNTBKMT2AGRIA2GRIA4
SCHEMBL14457745 0.85 GRIA4 (0.37) ALDH1A1HSD17B10KDM4EFNTAFNTB
Ranelic Acid SCHEMBL2227556 0.85 FNTA (0.36) FNTAFNTBGRIA2GRIA4
Ranelic Acid SCHEMBL15875995 0.85 FNTA (0.36) FNTAFNTBGRIA2GRIA4
Ranelic Acid SCHEMBL8641592 0.85 FNTA (0.36) FNTAFNTBGRIA2GRIA4
Ranelic Acid SCHEMBL2549310 0.85 FNTA (0.36) FNTAFNTBGRIA2GRIA4
SCHEMBL2552584 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1HSD17B10KDM4EHPGD

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
EP-2523947-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE Richter Gedeon Nyrt. (HU) 2012-11-21 EP disclosed
WO-2011086399-A1 PROCESS FOR THE PREPARATION OF STRONTIUM RANELATE RICHTER GEDEON NYRT. (HU) 2011-07-21 WO disclosed