SCHEMBL8548448

SCHEMBL8548448

COc1cccc(OC)c1C(=O)CN1CCC[C@H]1C(=O)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.56
DRD2 P14416 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MCOLN2 Q8IZK6 1/20 0.42
MCOLN1 Q9GZU1 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL8548457 1.00 CTSK (0.56) CTSKDRD2SMN1; SMN2ALDH1A1MEN1
SCHEMBL8544595 0.91 CTSK (0.47) CTSKSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8544585 0.91 CTSK (0.47) CTSKSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8548308 0.90 NPC1 (0.48) CTSKDRD2SMN1; SMN2ALDH1A1MEN1
SCHEMBL8548300 0.90 NPC1 (0.48) CTSKDRD2SMN1; SMN2ALDH1A1MEN1
SCHEMBL8545354 0.88 SLC6A12 (0.46) CTSKDRD2SMN1; SMN2ALDH1A1MEN1
SCHEMBL8545362 0.88 SLC6A12 (0.46) CTSKDRD2SMN1; SMN2ALDH1A1MEN1
SCHEMBL8542677 0.86 CTSK (0.59) CTSKSMN1; SMN2ALDH1A1
SCHEMBL8542686 0.86 CTSK (0.59) CTSKSMN1; SMN2ALDH1A1
SCHEMBL8544339 0.86 ALDH1A1 (0.50) CTSKSMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP claimed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed