SCHEMBL6036683

SCHEMBL6036683

CCCCCCCCCCCCN[C@@H](CC(C)C)C(=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
TLR2 O60603 6/20 0.45
TNF P01375 2/20 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
SCHEMBL13124052 0.84 TLR2 (0.55) KMT2ATLR2
SCHEMBL7132449 0.78 KMT2A (0.75) KMT2ATLR2
SCHEMBL8001867 0.78 TLR2 (0.56) KMT2ATLR2TNF
SCHEMBL16724664 0.77 KMT2A (0.57) KMT2ATLR2TNF
SCHEMBL4572008 0.77 KMT2A (0.73) KMT2ATLR2
SCHEMBL31217755 0.77 KMT2A (0.49) KMT2ATLR2
SCHEMBL3793604 0.76 KMT2A (0.49) KMT2ATLR2TNF
SCHEMBL20411430 0.76 TLR2 (0.63) KMT2ATLR2
SCHEMBL20411431 0.76 TLR2 (0.63) KMT2ATLR2
SCHEMBL5891865 0.75 KMT2A (0.51) KMT2ATLR2TNF

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-1675876-A2 CYCLODEXTRIN AMPHIPHILIC DERIVATIVES, METHOD FOR PREPARING SAME AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-07-05 EP disclosed
WO-2005042590-A2 CYCLODEXTRIN AMPHIPHILIC DERIVATIVES, METHOD FOR PREPARING SAME AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-05-12 WO disclosed