SCHEMBL7444362

SCHEMBL7444362

CCCCC(NC(=O)C(CCC)NC(=O)OCc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.53
CTSS P25774 3/20 0.53
CTSB P07858 5/20 0.51
CTSK P43235 3/20 0.51
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
SIRT2 Q8IXJ6 8/20 0.45
SIRT1 Q96EB6 5/20 0.45
SIRT3 Q9NTG7 3/20 0.45
TLR2 O60603 1/20 0.43

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
SCHEMBL7444351 1.00 CTSL (0.53) CTSLCTSSCTSBCTSKMME
SCHEMBL7431812 0.98 CTSL (0.55) CTSLCTSSCTSBCTSKMME
SCHEMBL7431820 0.98 CTSL (0.55) CTSLCTSSCTSBCTSKMME
SCHEMBL7305115 0.95 CTSL (0.52) CTSLCTSSCTSBCTSKMME
SCHEMBL7305108 0.95 CTSL (0.52) CTSLCTSSCTSBCTSKMME
SCHEMBL7433553 0.94 CTSL (0.52) CTSLCTSSCTSBCTSKMME
SCHEMBL7307504 0.94 CTSL (0.52) CTSLCTSSCTSBCTSKMME
SCHEMBL7303674 0.93 CTSL (0.54) CTSLCTSSCTSBCTSK
SCHEMBL7303685 0.93 CTSL (0.54) CTSLCTSSCTSBCTSK
Hydrochloric Acid SCHEMBL7303242 0.92 CTSL (0.49) CTSLCTSSCTSBCTSKMME

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-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed