SCHEMBL7419140

SCHEMBL7419140

CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.48
CTSK P43235 3/20 0.48
CTSB P07858 3/20 0.48
CTSS P25774 2/20 0.48
CTSD P07339 1/20 0.48
TACR1 P25103 2/20 0.47
CA4 P22748 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
CAPN1 P07384 1/20 0.44

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
SCHEMBL7424510 1.00 CTSL (0.48) CTSLCTSKCTSBCTSSCTSD
SCHEMBL7420907 0.83 CTSB (0.56) CTSLCTSKCTSBCTSS
SCHEMBL7414133 0.83 CTSB (0.56) CTSLCTSKCTSBCTSS
SCHEMBL7415829 0.83 CTSB (0.56) CTSLCTSKCTSBCTSS
SCHEMBL7420909 0.83 CTSB (0.56) CTSLCTSKCTSBCTSS
SCHEMBL7415375 0.83 CTSL (0.52) CTSLCTSKCTSBCTSSTACR1
SCHEMBL7414958 0.83 CTSL (0.52) CTSLCTSKCTSBCTSSTACR1
SCHEMBL7809241 0.82 CTSD (0.55) CTSLCTSKCTSBCTSSCTSD
SCHEMBL7410781 0.81 CASP1 (0.52) CTSLCTSKCTSBCTSSCTSD
SCHEMBL7806366 0.80 CTSL (0.47) CTSLCTSKCTSBCTSSCTSD

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
WO-1992017176-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-10-15 WO disclosed
US-5151438-A Enzyme inhibitors for treatment of aids ABBOTT LABORATORIES (US) 1992-09-29 US disclosed