SCHEMBL8776174

SCHEMBL8776174

CC(C)(C)OC(=O)N[C@@H](CS)C(=O)C1CNCCO1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 10/20 0.39
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CTSK P43235 7/20 0.36
CTSS P25774 5/20 0.36
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL8307743 0.87 CTSK (0.44) SSTR4CTSKCTSSCTSLCTSB
SCHEMBL7357403 0.82 CTSS (0.51) SSTR4CTSKCTSSCTSLCTSB
SCHEMBL28908633 0.81 SSTR4 (0.41) SSTR4CTSKCTSSCTSLCTSB
SCHEMBL6843350 0.80 SSTR4 (0.39) SSTR4CTSKCTSSCTSLCTSB
SCHEMBL28576006 0.77 SSTR4 (0.43) SSTR4
SCHEMBL31252251 0.75 IDO1 (0.43) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL31252212 0.74 CTSK (0.38) SSTR4HDAC4HDAC1HDAC6CTSK
SCHEMBL31252121 0.72 CYP1A2 (0.46) SSTR4HDAC4HDAC1HDAC6CTSK
SCHEMBL28672224 0.72 MEN1 (0.41) SSTR4CA1CA2
SCHEMBL28352490 0.72 SSTR4 (0.39) SSTR4CTSKCTSSCA1CA2

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-0808455-A1 APPLICATION OF COUNTERCURRENT CHROMATOGRAPHY TO THE DECONVOLUTION OF CHEMICAL LIBRARIES ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024842-A1 APPLICATION OF COUNTERCURRENT CHROMATOGRAPHY TO THE DECONVOLUTION OF CHEMICAL LIBRARIES ZENECA LIMITED (GB) 1996-08-15 WO disclosed