SCHEMBL8693200

SCHEMBL8693200

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.67
CTSK P43235 6/20 0.67
CTSL P07711 2/20 0.67
CTSB P07858 1/20 0.67
CAPN1 P07384 1/20 0.65
AAK1 Q2M2I8 1/20 0.47
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
REN P00797 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL28969921 0.87 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL18941377 0.87 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL7302264 0.87 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL17449484 0.87 CTSS (0.68) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL14104498 0.86 CTSK (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9889092 0.86 CTSK (0.67) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL12653617 0.84 CTSS (0.65) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9787700 0.84 CTSS (0.69) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL18879594 0.84 CAPN1 (0.71) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL8694944 0.84 CTSS (0.65) CTSSCTSKCTSLCTSBCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804559-A WATER SOLUBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed