SCHEMBL7337160

SCHEMBL7337160

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C(O)c1c(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
REN P00797 6/20 0.46
AAK1 Q2M2I8 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.42
MAP1LC3A Q9H492 1/20 0.42
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
APP P05067 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7336539 0.82 CTSK (0.44) CTSKCTSSCTSLREN
SCHEMBL7344740 0.80 CTSS (0.47) CTSKCTSSCTSLCTSB
SCHEMBL9610763 0.74 CTSK (0.59) CTSKCTSSCTSLCTSBREN
SCHEMBL9609480 0.74 CTSK (0.59) CTSKCTSSCTSLCTSBREN
SCHEMBL10630212 0.73 CTSK (0.57) CTSKCTSSCTSLCTSBREN
SCHEMBL8418512 0.72 REN (0.65) CTSKCTSSCTSLCTSBREN
SCHEMBL8418509 0.72 CTSK (0.56) CTSKCTSSCTSLCTSBREN
SCHEMBL12890762 0.72 CTSK (0.55) CTSKCTSSCTSLCTSBREN
SCHEMBL9390268 0.71 CYP2D6 (0.42) CTSKCTSSCTSLCTSBAPP
SCHEMBL3499528 0.70 REN (0.71) CTSKCTSSCTSLCTSBREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416117-A Protease inhibitor MITSUBISHI KASEI CORPORATION (JP) 1995-05-16 US disclosed
EP-0520427-B1 Cyclopropenone derivatives MITSUBISHI CHEM IND (JP) 1994-12-14 EP disclosed
US-5328909-A Protease inhibitors MITSUBISHI KASEI CORPORATION (JP) 1994-07-12 US disclosed