SCHEMBL14149461

SCHEMBL14149461

COOCC(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
PGD P52209 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.31
MMP12 P39900 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
SCHEMBL207239 0.81
SCHEMBL258152 0.74 SLC22A6 (0.50) BHMTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL11233846 0.73 CACNA2D1 (0.38) BHMTITGB3ITGA2BSLC22A6CACNA2D1
SCHEMBL1802415 0.73 TDP1 (0.41) BHMTITGB3ITGA2BSLC22A6CACNA2D1
SCHEMBL16755874 0.73 FFAR1 (0.36) BHMTITGB3ITGA2BSLC22A6CACNA2D1
SCHEMBL3849299 0.72 TDP1 (0.33) BHMTITGB3ITGA2BSLC22A6CACNA2D1
SCHEMBL14109598 0.72 SLC22A6 (0.47) BHMTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL11112412 0.72 SLC22A6 (0.47) BHMTSLC22A6CACNA2D1CACNB3CACNA1C
Ethane SCHEMBL5968227 0.72 SLC22A6 (0.47) BHMTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL10902055 0.72 SLC22A6 (0.47) BHMTSLC22A6CACNA2D1CACNB3CACNA1C

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
WO-2012163563-A1 NEW STRONTIUM SALTS, SYNTHESIS AND USE THEREOF IN THE TREATMENT OF OSTEOPOROSIS LACER, S.A. (ES) 2012-12-06 WO disclosed
EP-2530068-A1 New strontium salts, synthesis and use thereof in the treatment of osteoporosis LACER, S.A. (ES) 2012-12-05 EP disclosed