SCHEMBL9099082

SCHEMBL9099082

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.51
CTSB P07858 2/20 0.51
LNPEP Q9UIQ6 5/20 0.48
ERAP2 Q6P179 4/20 0.48
ERAP1 Q9NZ08 2/20 0.48
ECE1 P42892 1/20 0.46
IL1RN P18510 1/20 0.45
CTSD P07339 2/20 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
SCHEMBL9099075 0.93 CTSB (0.51) CTSKCTSBLNPEPERAP2ERAP1
SCHEMBL29536591 0.87 CTSK (0.61) CTSKCTSBLNPEPERAP2ERAP1
Trifluoroacetic Acid SCHEMBL7377191 0.83 CTSK (0.58) CTSKCTSBLNPEPERAP2ERAP1
Hydrochloric Acid SCHEMBL7332600 0.82 SLC15A1 (0.52) CTSKCTSBLNPEPERAP2ERAP1
SCHEMBL31410669 0.80 CTSB (0.56) CTSKCTSBLNPEPERAP2ERAP1
Hydrochloric Acid SCHEMBL6283276 0.79 CTSB (0.55) CTSKCTSBLNPEPERAP2ERAP1
SCHEMBL29770313 0.79 ERAP2 (0.68) CTSKCTSBLNPEPERAP2ERAP1
SCHEMBL31410657 0.79 CTSB (0.50) CTSKCTSBLNPEPERAP2ERAP1
SCHEMBL23051873 0.79 CTSB (0.59) CTSKCTSBLNPEPERAP2ERAP1
SCHEMBL9098313 0.79 CTSB (0.41) CTSKCTSBLNPEPERAP2ERAP1

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