SCHEMBL10432018

SCHEMBL10432018

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.53
CTSL P07711 5/20 0.50
CTSS P25774 4/20 0.50
CTSB P07858 3/20 0.50
PSMB1 P20618 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL7296754 0.92 CTSK (0.57) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL7294855 0.90 CTSK (0.52) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL10432035 0.85 CTSK (0.52) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL8353955 0.82 CTSK (0.62) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL14011286 0.81 CTSK (0.64) CTSKCTSLCTSSCTSBATM
SCHEMBL10432273 0.81 CTSK (0.50) CTSKCTSLCTSSCTSB
SCHEMBL10431940 0.81 CTSK (0.48) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL7292473 0.80 CTSK (0.60) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL7434135 0.80 SYK (0.54) CTSKCTSLCTSSCTSBPSMB1
SCHEMBL8276388 0.80 CTSK (0.56) CTSKCTSLCTSSCTSBPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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