SCHEMBL3963466

SCHEMBL3963466

O=C(O)NCCC(O)c1cccc(OCCCCCOCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
ADRB2 P07550 4/20 0.45
ADRB1 P08588 3/20 0.45
ADRB3 P13945 3/20 0.45
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 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
SCHEMBL16149869 0.88 KMT2A (0.55) SMN1; SMN2KMT2A
SCHEMBL2202484 0.87 L3MBTL1 (0.44) SMN1; SMN2HTTADRB2ADRB1ADRB3
SCHEMBL2207432 0.86 BCHE (0.43) SMN1; SMN2HTTADRB2ADRB1ADRB3
SCHEMBL29818987 0.85 KMT2A (0.44) SMN1; SMN2ADRB2ADRB1ADRB3KMT2A
SCHEMBL3968993 0.85 KDM4E (0.43) SMN1; SMN2KDM4EHPGD
SCHEMBL2208049 0.85 KMT2A (0.44) SMN1; SMN2ADRB2ADRB1ADRB3KMT2A
SCHEMBL2778613 0.85 ADRB2 (0.46) SMN1; SMN2HTTADRB2ADRB1ADRB3
SCHEMBL29818773 0.84 KMT2A (0.45) SMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL2204281 0.84 KMT2A (0.45) SMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL27996240 0.83 ADRB2 (0.45) SMN1; SMN2HTTADRB2ADRB1ADRB3

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