SCHEMBL4073791

SCHEMBL4073791

NCC/C=N/Nc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
PARP10 Q53GL7 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
KAT6A Q92794 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL4413178 0.79 SIRT2 (0.55) SIRT2TLR4TLR2PARP10KAT6A
SCHEMBL27996034 0.75 SIRT2 (0.56) SIRT2TLR4TLR2CCNA2CDK2
SCHEMBL2209064 0.74 TLR4 (0.53) SIRT2TLR4TLR2PARP10MAOA
SCHEMBL2207146 0.74 TLR4 (0.53) SIRT2TLR4TLR2PARP10MAOA
SCHEMBL2202599 0.74 TLR4 (0.53) SIRT2TLR4TLR2PARP10MAOA
SCHEMBL29818651 0.74 TLR4 (0.53) SIRT2TLR4TLR2PARP10MAOA
SCHEMBL29819321 0.74 TLR4 (0.53) SIRT2TLR4TLR2PARP10MAOA
Ammonia Solution, Strong SCHEMBL2207095 0.72 TLR4 (0.52) SIRT2TLR4TLR2PARP10MAOA
SCHEMBL2209290 0.72 TLR4 (0.51) SIRT2TLR4TLR2PARP10
SCHEMBL29819300 0.72 TLR4 (0.51) SIRT2TLR4TLR2PARP10

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