SCHEMBL8911355

SCHEMBL8911355

CCOC(=O)c1c(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)sc(N(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.48
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
CTSS P25774 4/20 0.45
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
TP53 P04637 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 3/20 0.42
LGMN Q99538 1/20 0.42

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
SCHEMBL8913629 0.88 ALDH1A1 (0.57) CTSKMAPTNPSR1TP53POLB
SCHEMBL8907072 0.87 CTSK (0.48) CTSKMAPTNPSR1LMNAHTT
SCHEMBL8908693 0.87 CTSK (0.48) CTSKMAPTNPSR1LMNAHTT
SCHEMBL8907299 0.87 CTSK (0.48) CTSKMAPTNPSR1LMNAHTT
SCHEMBL8913894 0.86 MEN1 (0.48) CTSKMAPTNPSR1LMNATP53
SCHEMBL8911455 0.81 CAPN1 (0.45) CTSKMAPTTP53RXFP1POLB
SCHEMBL8907102 0.81 CTSK (0.49) CTSKLMNAHTTALDH1A1MEN1
SCHEMBL8912016 0.77 CNR2 (0.52) CTSKMAPTNPSR1LMNACTSS
SCHEMBL11055593 0.72 MEN1 (0.61) CTSKMAPTLMNACTSSCTSL
SCHEMBL2949041 0.72 CTSK (0.57) CTSKLMNACTSSCTSLCTSB

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