SCHEMBL5707293

SCHEMBL5707293

CC(C)CC(NC(=O)OC(C)(C)C)C(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CTSK P43235 4/20 0.50
CTSS P25774 2/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
CYP2D6 P10635 1/20 0.44
CAPN1 P07384 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL7320189 1.00 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL4393943 1.00 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL7745206 1.00 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL3446599 1.00 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL741043 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSS
SCHEMBL20027586 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSS
SCHEMBL19618687 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSS
SCHEMBL10724727 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSS
SCHEMBL10724721 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSS
SCHEMBL5564464 0.86 CA1 (0.55) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40901-E1 Taxane derivatives and processes for the preparation thereof INDENA S.P.A. (IT) 2009-09-01 US disclosed
US-RE40901-E1 Taxane derivatives and processes for the preparation thereof INDENA S.P.A. (IT) 2009-09-01 US disclosed
EP-1692098-A1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2006-08-23 EP disclosed
WO-2005056519-A1 ALPHA-KETOAMIDE DERIVATIVE, AND PRODUCTION METHOD AND USE THEREOF SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 WO disclosed
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed
WO-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 WO disclosed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US disclosed
EP-1058690-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2000-12-13 EP disclosed
WO-1999045027-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 1999-09-10 WO disclosed
US-5135914-A Controlling hypertension, hyperaldosteronism, and congestive heart failure WARNER-LAMBERT COMPANY (US) 1992-08-04 US disclosed
US-4698329-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1987-10-06 US disclosed
EP-0152255-A2 New renin-inhibitory peptides and their use SANKYO COMPANY LIMITED (JP) 1985-08-21 EP disclosed