SCHEMBL3820779

SCHEMBL3820779

CCC(NC(=O)OC(C)(C)C)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.47
CTSL P07711 4/20 0.47
CTSB P07858 3/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSS P25774 3/20 0.43
CTSD P07339 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL9531051 0.86 CTSK (0.47) CTSKCTSLCTSBCTSSKMT2A
SCHEMBL9937144 0.79 SMN1; SMN2 (0.45) CTSKCTSLCTSBUSP2SMN1; SMN2
SCHEMBL15732428 0.79 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL10076126 0.78 CTSK (0.50) CTSKCTSLCTSBUSP2SMN1; SMN2
Benzene SCHEMBL9188076 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL2691456 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL8939923 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL31758053 0.76 USP2 (0.45) CTSKCTSLCTSBUSP2SMN1; SMN2
SCHEMBL2096750 0.75 CTSK (0.45) CTSKCTSLCTSBUSP2SMN1; SMN2
SCHEMBL1503616 0.75 CTSK (0.45) CTSKCTSLCTSBUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091927-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-Roche AG (CH) 2009-08-26 EP disclosed
WO-2008055840-A1 THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed