SCHEMBL8908677

SCHEMBL8908677

C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1sccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSS P25774 7/20 0.48
CTSL P07711 6/20 0.48
CYP1A2 P05177 1/20 0.47
CTSB P07858 4/20 0.47
ATM Q13315 1/20 0.46
MAPK8 P45983 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 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
SCHEMBL10407184 0.86 CTSK (0.46) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL9378702 0.86 CTSK (0.46) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL11055593 0.80 MEN1 (0.61) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL13325457 0.77 KMT2A (0.58) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL23604935 0.77 CTSK (0.63) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL10612913 0.77 CTSK (0.63) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL17235497 0.77 CTSK (0.63) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL11515552 0.77 CTSK (0.63) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL22753446 0.77 CTSK (0.63) CTSKCTSSCTSLCYP1A2CTSB
SCHEMBL16215535 0.77 CTSK (0.63) CTSKCTSSCTSLCYP1A2CTSB

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
EP-0799230-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019482-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed