SCHEMBL3972838

SCHEMBL3972838

CCCN(Oc1cccc(OCC2CCCCC2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
PARP10 Q53GL7 3/20 0.44
PARP15 Q460N3 2/20 0.44
ADAM17 P78536 1/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3970375 0.99 FFAR4 (0.45) SLC2A1FFAR1FFAR4SIRT2PARP10
SCHEMBL2207367 0.86 SLC2A1 (0.42) SLC2A1FFAR1FFAR4SIRT2PARP10
SCHEMBL2209469 0.84 SLC2A1 (0.41) SLC2A1FFAR4SIRT2PARP10PARP15
SCHEMBL2207364 0.76 BCHE (0.43) SLC2A1FFAR1FFAR4SIRT2PARP10
SCHEMBL4568767 0.76 TLR4 (0.53) SIRT2PARP10PARP15ADAM17TLR4
SCHEMBL4568904 0.76 TLR4 (0.53) SIRT2PARP10PARP15ADAM17TLR4
SCHEMBL4568768 0.76 TLR4 (0.53) SIRT2PARP10PARP15ADAM17TLR4
SCHEMBL2209466 0.75 BCHE (0.42) SLC2A1FFAR4SIRT2PARP10PARP15
SCHEMBL4568943 0.74
SCHEMBL4568813 0.74 TLR4 (0.51) PARP10PARP15TLR4TLR2KDM4E

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