SCHEMBL7296754

SCHEMBL7296754

CC(C)CC(NC(=O)OCc1ccccc1)C(O)C(F)(F)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.57
CTSS P25774 4/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 2/20 0.54
PSMB1 P20618 1/20 0.50
ACE2 Q9BYF1 1/20 0.49
REN P00797 2/20 0.48

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
SCHEMBL10432018 0.92 CTSK (0.53) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL7294855 0.91 CTSK (0.52) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL7321385 0.86 TRPM8 (0.55) CTSKCTSSCTSLCTSB
SCHEMBL7428630 0.86 TRPM8 (0.55) CTSKCTSSCTSLCTSB
SCHEMBL10432035 0.86 CTSK (0.52) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL7429348 0.84 CTSS (0.52) CTSKCTSSCTSLCTSB
SCHEMBL7399913 0.84 CTSS (0.52) CTSKCTSSCTSLCTSB
SCHEMBL8353955 0.83 CTSK (0.62) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL14011286 0.82 CTSK (0.64) CTSKCTSSCTSLCTSBACE2
SCHEMBL10431940 0.82 CTSK (0.48) CTSKCTSSCTSLCTSBPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368719-B1 Novel analogs of peptidase substrates MERRELL PHARMA INC (US) 1997-01-08 EP disclosed
US-5114927-A Hypotensive agents and inhibiting renin MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-19 US disclosed
EP-0371179-A1 Novel analogs of peptidase substrates MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-06 EP disclosed
EP-0368719-A2 Novel analogs of peptidase substrates MERRELL PHARMACEUTICALS INC. (US) 1990-05-16 EP disclosed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed