SCHEMBL7411356

SCHEMBL7411356

CC(C)CN(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 8/20 0.44
KCNA5 P22460 3/20 0.43
CTSK P43235 4/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
CTSB P07858 2/20 0.42
ATM Q13315 1/20 0.42
CTSS P25774 2/20 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
SCHEMBL8773812 0.92 SMN1; SMN2 (0.44) SMN1; SMN2CTSLKCNA5CTSKSLC1A3
SCHEMBL17573167 0.81 SIRT2 (0.48) SMN1; SMN2CTSLCTSS
SCHEMBL7411358 0.79 SMN1; SMN2 (0.43) SMN1; SMN2CTSLKCNA5CTSKATM
SCHEMBL8535085 0.79 TSHR (0.40) SMN1; SMN2KCNA5
SCHEMBL8333205 0.75 SMN1; SMN2 (0.44) SMN1; SMN2CTSLCTSKSLC1A3SLC1A1
SCHEMBL7334593 0.75 BACE1 (0.44) SMN1; SMN2CTSLKCNA5CTSKCTSS
SCHEMBL8779454 0.74 LMNA (0.54) SMN1; SMN2CTSLSLC1A3SLC1A1
SCHEMBL8779460 0.74 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776971-A Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-07-07 US disclosed
US-5756533-A ENZYME INHIBITORS FOR TREATMENT OF AIDS G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US disclosed
EP-0815124-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-01-07 EP disclosed
US-5705500-A HIV TREATMENT G.D. SEARLE & CO. (US) 1998-01-06 US disclosed
EP-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
EP-0813543-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed