SCHEMBL7414958

SCHEMBL7414958

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.52
MME P08473 1/20 0.49
ECE1 P42892 1/20 0.49
TACR1 P25103 2/20 0.48
CTSB P07858 2/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CAPN1 P07384 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB5 P28074 1/20 0.47
MMP3 P08254 1/20 0.46
PSMB1 P20618 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
SCHEMBL7415375 1.00 CTSL (0.52) CTSLMMEECE1TACR1CTSB
SCHEMBL7424510 0.83 CTSL (0.48) CTSLTACR1CTSBCTSSCTSK
SCHEMBL7419140 0.83 CTSL (0.48) CTSLTACR1CTSBCTSSCTSK
SCHEMBL10803689 0.83 MME (0.63) CTSLMMEECE1TACR1CTSB
SCHEMBL10803697 0.83 MME (0.63) CTSLMMEECE1TACR1CTSB
SCHEMBL10805328 0.82 CTSL (0.59) CTSLTACR1CTSBCTSSCTSK
SCHEMBL10746345 0.81 CAPN1 (0.61) CTSLMMEECE1TACR1CTSB
SCHEMBL10746340 0.81 CAPN1 (0.61) CTSLMMEECE1TACR1CTSB
SCHEMBL7420909 0.81 CTSB (0.56) CTSLMMEECE1CTSBCTSS
SCHEMBL7415829 0.81 CTSB (0.56) CTSLMMEECE1CTSBCTSS

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
US-5256677-A Enzyme inhibitor for treating acquired immune deficiency syndrome ABBOTT LABORATORIES (US) 1993-10-26 US disclosed
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