SCHEMBL9098313

SCHEMBL9098313

CC(C)[C@H](NC(=O)[C@@H](N)CC(C(=O)OCc1ccccc1)C(C)(C)C)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
CASP3 P42574 3/20 0.41
PTPN1 P18031 5/20 0.38
LNPEP Q9UIQ6 5/20 0.37
ERAP2 Q6P179 3/20 0.37
ERAP1 Q9NZ08 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL9099082 0.79 CTSK (0.51) CTSBCTSKLNPEPERAP2ERAP1
SCHEMBL9099075 0.79 CTSB (0.51) CTSBCTSKLNPEPERAP2ERAP1
SCHEMBL19280973 0.73 KMT2A (0.45) CASP3KMT2A
SCHEMBL29536591 0.73 CTSK (0.61) CTSBCTSKLNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7377191 0.72 CTSK (0.58) CTSBCTSKLNPEPERAP2ERAP1
SCHEMBL7707279 0.71 KMT2A (0.44) CASP3KMT2A
SCHEMBL19820407 0.71 CTSB (0.50) CTSBCTSKCASP3PTPN1
SCHEMBL20184843 0.71 KMT2A (0.47) CASP3KMT2A
SCHEMBL27960451 0.71 KMT2A (0.47) CASP3KMT2A
SCHEMBL30341743 0.70 KMT2A (0.49) CASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732399-A2 Chymotrypsin-like proteases and their inhibitors CEPHALON, INC. (US) 1996-09-18 EP disclosed
EP-0518955-A4 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS 1993-09-22 EP disclosed
EP-0518955-A1 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS CEPHALON, INC. (US) 1992-12-23 EP disclosed
WO-1991013904-A1 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS CEPHALON, INC. (US) 1991-09-19 WO disclosed