SCHEMBL9017502

SCHEMBL9017502

CC(C)OC(=O)COC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAPT P10636 1/20 0.41
SLC7A5 Q01650 1/20 0.41
TSHR P16473 1/20 0.41
SLC1A1 P43005 5/20 0.37
SLC1A3 P43003 4/20 0.37
SLC1A2 P43004 4/20 0.37
LMNA P02545 2/20 0.35
SLC1A5 Q15758 1/20 0.35
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
GRIK1 P39086 2/20 0.33
GRIA2 P42262 2/20 0.33
GRIA4 P48058 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK5 Q16478 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL2200757 0.80 SLC7A5 (0.52) SLC7A5TSHRSLC1A1SLC1A3SLC1A2
SCHEMBL14043512 0.80 SLC7A5 (0.52) SLC7A5TSHRSLC1A1SLC1A3SLC1A2
SCHEMBL11912087 0.78 MAPT (0.43) MAPTTSHRLMNA
SCHEMBL11115364 0.77 LMNA (0.46) MAPTTSHRLMNA
SCHEMBL13857278 0.76 NOS2 (0.53) NOS3NOS1NOS2SLC7A5TSHR
SCHEMBL12028657 0.76 NOS2 (0.53) NOS3NOS1NOS2SLC7A5TSHR
SCHEMBL4156927 0.76 NOS2 (0.47) NOS3NOS1NOS2SLC7A5TSHR
SCHEMBL6274592 0.76 NOS2 (0.47) NOS3NOS1NOS2SLC7A5TSHR
SCHEMBL4156931 0.76 NOS2 (0.47) NOS3NOS1NOS2SLC7A5TSHR
SCHEMBL17434420 0.75 NOS3 (0.53) NOS3NOS1NOS2SLC7A5SLC1A1

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-0414632-B1 Cyclosporin derivatives SANDOZ LTD (CH) 1996-10-23 EP claimed
EP-0414632-B1 Cyclosporin derivatives SANDOZ LTD (CH) 1996-10-23 EP disclosed