SCHEMBL4686808

SCHEMBL4686808

C=CCCN(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.54
SYK P43405 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTSB P07858 2/20 0.42
PPARA Q07869 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.40
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL6352709 0.91 AKT1 (0.48) AKT1SYKL3MBTL1SMN1; SMN2CTSL
SCHEMBL5368670 0.88 AKT1 (0.53) AKT1SYKL3MBTL1SMN1; SMN2CTSL
SCHEMBL25274670 0.83 AKT1 (0.52) AKT1SYKSMN1; SMN2CTSLCTSS
SCHEMBL2059357 0.82 AKT1 (0.54) AKT1SYKSMN1; SMN2CTSLCTSS
SCHEMBL8432795 0.82 AKT1 (0.56) AKT1SYKSMN1; SMN2CTSLCTSS
SCHEMBL6022135 0.80 AKT1 (0.42) AKT1SMN1; SMN2MAPTCA12CA1
SCHEMBL9756736 0.78 AKT1 (0.53) AKT1SYKSMN1; SMN2CTSLCTSS
SCHEMBL25002520 0.76 SYK (0.53) AKT1SYKL3MBTL1SMN1; SMN2CTSL
SCHEMBL32691073 0.76 AKT1 (0.47) AKT1SYKL3MBTL1SMN1; SMN2CTSL
SCHEMBL31031058 0.76 AKT1 (0.49) AKT1SYKL3MBTL1SMN1; SMN2CTSL

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-1534292-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-04-02 EP disclosed
EP-1534292-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-01 EP disclosed
WO-2003099844-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 WO disclosed