SCHEMBL6201083

SCHEMBL6201083

O=C(N[C@@H](CCCNCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.61
ITGAV P06756 2/20 0.61
FOLH1 Q04609 3/20 0.59
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
CCR6 P51684 1/20 0.53
PAX8 Q06710 1/20 0.53
CTSL P07711 2/20 0.52
CTSS P25774 1/20 0.52
TGM2 P21980 3/20 0.51
ITGA2B P08514 5/20 0.49
SIRT5 Q9NXA8 1/20 0.49

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
SCHEMBL8387978 0.88 FOLH1 (0.65) ITGB3ITGAVFOLH1SIRT2SIRT1
SCHEMBL10421088 0.88 FOLH1 (0.62) ITGB3ITGAVFOLH1SIRT2SIRT1
SCHEMBL4173691 0.87 FOLH1 (0.72) ITGB3ITGAVFOLH1SIRT2SIRT1
SCHEMBL4173693 0.87 FOLH1 (0.72) ITGB3ITGAVFOLH1SIRT2SIRT1
SCHEMBL11875673 0.87 FOLH1 (0.72) ITGB3ITGAVFOLH1SIRT2SIRT1
SCHEMBL1162281 0.86 SIRT2 (0.60) ITGB3ITGAVFOLH1SIRT2SIRT1
SCHEMBL26654353 0.85 TGM2 (0.68) ITGB3ITGAVFOLH1SIRT2SIRT1
SCHEMBL26654355 0.85 TGM2 (0.68) ITGB3ITGAVFOLH1SIRT2SIRT1
Hydrochloric Acid SCHEMBL1162135 0.85 SIRT2 (0.59) ITGB3ITGAVFOLH1SIRT2SIRT1
SCHEMBL7515531 0.84 FOLH1 (0.58) ITGB3ITGAVFOLH1SIRT2SIRT1

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