SCHEMBL8053336

SCHEMBL8053336

C=CCC(F)(F)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.51
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
ACE P12821 2/20 0.48
CTRB1 P17538 5/20 0.48
PTPN1 P18031 1/20 0.47
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
CTSB P07858 1/20 0.45
PSMB5 P28074 1/20 0.45

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
SCHEMBL10926363 0.85 TACR1 (0.41) CTSLCTSSCTSKACECTRB1
SCHEMBL8054275 0.84 CTSL (0.51) CTSLCTSSCTSKCA2CA1
SCHEMBL8041086 0.83 CTSL (0.52) CTSLCTSSCTSKACECTRB1
SCHEMBL5711376 0.83 CTSL (0.57) CTSLCTSSCTSKACECTRB1
SCHEMBL5711379 0.83 CTSL (0.57) CTSLCTSSCTSKACECTRB1
SCHEMBL10445581 0.78 CTSL (0.50) CTSLCTSSCTSKACECTRB1
SCHEMBL6348415 0.78 CTSL (0.52) CTSLCTSSCTSKACECTRB1
SCHEMBL6348412 0.78 CTSL (0.52) CTSLCTSSCTSKACECTRB1
SCHEMBL8198049 0.75 CTSS (0.53) CTSLCTSSCTSKPTPN1CA2
SCHEMBL9825646 0.75 CTSL (0.66) CTSLCTSSCTSKACECTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130315-A SUBSTRATES IN WHICH THE SCISSILE AMIDE BOND HAS BEEN REPLACED BY AN ACTIVATED ELECTROPHILIC KETONE MOIETY; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTIARTHRITIC AGENTS; TREATMENT OF AUTOIMMUNE DISEASES MERRELL PHARMACEUTICALS INC. (US) 2000-10-10 US disclosed
US-5849866-A Peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1998-12-15 US disclosed
US-5496927-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE, CATHEPSIN G, CHYMOTRYPSIN MERRELL PHARMACEUTICALS INC. (US) 1996-03-05 US disclosed
EP-0195212-B1 Novel peptidase inhibitors MERRELL DOW PHARMA (US) 1993-11-24 EP disclosed
EP-0195212-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1986-09-24 EP disclosed