SCHEMBL8773812

SCHEMBL8773812

CC(C)CCN(C[C@H](O)CCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CTSL P07711 7/20 0.43
KCNA5 P22460 2/20 0.43
CTSK P43235 3/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
CTSB P07858 1/20 0.41
ATM Q13315 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL7411356 0.92 SMN1; SMN2 (0.44) SMN1; SMN2CTSLKCNA5CTSKSLC1A3
SCHEMBL7411358 0.78 SMN1; SMN2 (0.43) SMN1; SMN2CTSLKCNA5CTSKATM
SCHEMBL17573167 0.78 SIRT2 (0.48) SMN1; SMN2CTSLCTSS
SCHEMBL8333205 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CTSLCTSKSLC1A3SLC1A1
SCHEMBL7334593 0.74 BACE1 (0.44) SMN1; SMN2CTSLKCNA5CTSKCTSS
SCHEMBL7410136 0.74 ALDH1A1 (0.51) SMN1; SMN2KCNA5
SCHEMBL8779460 0.73 LMNA (0.54) SMN1; SMN2CTSLSLC1A3SLC1A1
SCHEMBL8779454 0.73 LMNA (0.54) SMN1; SMN2CTSLSLC1A3SLC1A1
SCHEMBL8328529 0.73 SMN1; SMN2 (0.43) SMN1; SMN2CTSLCTSKSLC1A3SLC1A1
SCHEMBL18857044 0.72 SMN1; SMN2 (0.62) SMN1; SMN2CTSLATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed