SCHEMBL998948

SCHEMBL998948

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
CTSK P43235 4/20 0.54
ECE1 P42892 1/20 0.52
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CAPN1 P07384 1/20 0.50

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
SCHEMBL999188 0.85 CTSK (0.47) CTSKCTSSCTSLCTSB
SCHEMBL31512922 0.83 CTSK (0.56) MMECTSKCTSSCTSLCTSB
SCHEMBL1079423 0.83 CTSK (0.44) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5193478 0.82 CTSK (0.49) MMECTSKECE1CTSSCTSL
SCHEMBL1524821 0.81 CTSK (0.52) MMECTSKECE1CTSSCTSL
SCHEMBL5934705 0.81 CTSK (0.58) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL29861104 0.81 MME (0.52) MMECTSKECE1CAPN1
SCHEMBL8764285 0.80 MMP1 (0.53) MMECAPN1
SCHEMBL25406813 0.80 CTSK (0.77) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823918 0.80 CTSK (0.77) CTSKCTSSCTSLCTSBCAPN1

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-2467144-A1 COMBINATION OF PROTEASOME INHIBITORS AND ANTI-HEPATITIS MEDICATION FOR TREATING HEPATITIS ViroLogik GmbH (DE) 2012-06-27 EP claimed
WO-2011009961-A1 COMBINATION OF PROTEASOME INHIBITORS AND ANTI-HEPATITIS MEDICATION FOR TREATING HEPATITIS VIROLOGIK GMBH (DE) 2011-01-27 WO claimed