SCHEMBL14091963

SCHEMBL14091963

CC(C)(C)OC(=O)NC(CSSCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.60
CTSK P43235 6/20 0.60
CTSB P07858 3/20 0.60
CTSL P07711 1/20 0.60
PPARG P37231 3/20 0.56
PPARA Q07869 3/20 0.56
ATM Q13315 1/20 0.53
AKT1 P31749 1/20 0.53
BACE1 P56817 6/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CACNA1C Q13936 1/20 0.51
SCN9A Q15858 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL16310473 0.93 CTSS (0.56) CTSSCTSKCTSBCTSLPPARG
SCHEMBL12933707 0.88 CTSS (0.56) CTSSCTSKCTSBCTSLPPARG
SCHEMBL9582823 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLPPARG
SCHEMBL30968897 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLPPARG
SCHEMBL42634 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLPPARG
SCHEMBL3383006 0.87 CTSS (0.77) CTSSCTSKCTSBCTSLATM
SCHEMBL13583903 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLPPARG
SCHEMBL31291804 0.87 CTSK (0.65) CTSSCTSKCTSBCTSLBACE1
SCHEMBL5347327 0.87 PPARG (0.56) CTSSCTSKCTSBCTSLPPARG
SCHEMBL5347323 0.87 PPARG (0.56) CTSSCTSKCTSBCTSLPPARG

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-20080226503-A1 Method for selective detection of peptides using molecularly imprinted sensors TAI DAR-FU 2008-09-18 US disclosed