SCHEMBL7280265

SCHEMBL7280265

CC(C)C1COC(=O)N1C(=O)[C@@H](CC(=O)OC(C)(C)C)CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.43
STAT3 P40763 1/20 0.41
PIK3CD O00329 1/20 0.35
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
CNR2 P34972 1/20 0.32
IDH1 O75874 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL7280251 1.00 IL6ST (0.43) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL7280258 1.00 IL6ST (0.43) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL4714807 0.95 IL6ST (0.41) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211407 0.87 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211410 0.87 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL6450744 0.87 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8211409 0.87 IL6ST (0.45) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL8634121 0.84 IL6ST (0.48) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL7344045 0.84 IL6ST (0.48) IL6STSTAT3PIK3CDPLA2G10PLA2G5
SCHEMBL6159290 0.84 IL6ST (0.52) IL6STSTAT3PIK3CDPLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 EP disclosed
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP disclosed
US-5554634-A HYPOTENSIVE BIO-MEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-09-10 US disclosed
US-5541163-A HYPOTENSIVE AGENTS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-07-30 US disclosed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP disclosed
EP-0589446-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP disclosed