SCHEMBL5676296

SCHEMBL5676296

COO[C@@H](C=O)[C@H](O)CO

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.37
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5676584 1.00 AKR1B1 (0.37) AKR1B1LMNAL3MBTL1
SCHEMBL5834719 1.00 AKR1B1 (0.37) AKR1B1LMNAL3MBTL1
SCHEMBL8002266 0.88 LMNA (0.39) AKR1B1LMNAL3MBTL1
SCHEMBL8934913 0.86 LMNA (0.42) AKR1B1LMNAL3MBTL1
SCHEMBL8934933 0.86 LMNA (0.42) AKR1B1LMNAL3MBTL1
SCHEMBL4654574 0.82
SCHEMBL541845 0.81 AKR1B1 (0.30) AKR1B1
SCHEMBL1001172 0.74 LMNA (0.42) AKR1B1LMNAL3MBTL1
SCHEMBL64935 0.74 LMNA (0.42) AKR1B1LMNAL3MBTL1
SCHEMBL616881 0.74 LMNA (0.42) AKR1B1LMNAL3MBTL1

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-7109175-B1 saponin-like compounds isolated from Mandevilla species; comprising saponin oligosugar bound to a pregnane-3 beta -ol steroid portion; for decreasing spontaneous cell proliferation UNIVERSITE DE SHERBROOKE (CA) 2006-09-19 US disclosed
EP-1028734-B1 USE OF SPECIFIC STEADY-STATE R-TYPE CALCIUM CHANNEL BLOCKERS UNIV SHERBROOKE (CA) 2006-02-22 EP disclosed