SCHEMBL3972837

SCHEMBL3972837

CCCNC(=O)Oc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
ACHE P22303 1/20 0.47
ADAM17 P78536 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
SCHEMBL3970372 0.99 ACHE (0.48) SIRT2ACHEADAM17
SCHEMBL4568768 0.76 TLR4 (0.53) SIRT2ADAM17
SCHEMBL4568904 0.76 TLR4 (0.53) SIRT2ADAM17
SCHEMBL4568767 0.76 TLR4 (0.53) SIRT2ADAM17
SCHEMBL4568818 0.76 SIRT2 (0.52) SIRT2ADAM17
SCHEMBL4256591 0.75 GCK (0.49) SIRT2ADAM17
SCHEMBL2207364 0.75 BCHE (0.43) SIRT2ADAM17
SCHEMBL4568813 0.75 TLR4 (0.51)
SCHEMBL4568749 0.74 HPGD (0.51) SIRT2ADAM17
SCHEMBL4568756 0.74 HPGD (0.51) SIRT2ADAM17

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-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed