SCHEMBL6200569

SCHEMBL6200569

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.51
PPARA Q07869 3/20 0.50
CTSS P25774 3/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
PPARG P37231 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
TACR1 P25103 2/20 0.48
KYNU Q16719 1/20 0.48
CAPN1 P07384 1/20 0.47
CAPN2 P17655 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL6198582 0.91 KYNU (0.56) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL12873775 0.88 CTSK (0.56) CTSKPPARACTSSCTSLCTSB
SCHEMBL13410408 0.88 CTSK (0.56) CTSKPPARACTSSCTSLCTSB
SCHEMBL1161891 0.88 CTSK (0.56) CTSKPPARACTSSCTSLCTSB
Hydrochloric Acid SCHEMBL1161839 0.87 CTSK (0.55) CTSKPPARACTSSCTSLCTSB
SCHEMBL22975082 0.86 KYNU (0.53) CTSKPPARACTSSCTSLCTSB
SCHEMBL22975026 0.86 CTSK (0.56) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL22975022 0.86 SIRT2 (0.58) CTSKCTSSCTSLITGB3ITGA2B
SCHEMBL28832879 0.85 SIRT2 (0.56) CTSKPPARACTSSCTSLCTSB
SCHEMBL10563105 0.85 CTSK (0.54) CTSKPPARACTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed
US-6503897-B1 N-Formylhydroxylamine derivatives; veterinary medicine; grampositive and gramnegative bacteria BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-01-07 US disclosed
EP-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed