SCHEMBL3970375

SCHEMBL3970375

CCCN(Oc1cccc(OCC2CCCC2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.45
SLC2A1 P11166 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ADAM17 P78536 1/20 0.42
PARP10 Q53GL7 3/20 0.42
PARP15 Q460N3 2/20 0.42
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41

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
SCHEMBL3972838 0.99 SLC2A1 (0.46) FFAR4SLC2A1KDM4EALDH1A1TDP1
SCHEMBL2209469 0.85 SLC2A1 (0.41) FFAR4SLC2A1SIRT2ADAM17PARP10
SCHEMBL2207367 0.85 SLC2A1 (0.42) FFAR4SLC2A1FFAR1SIRT2ADAM17
SCHEMBL2209466 0.76 BCHE (0.42) FFAR4SLC2A1SIRT2ADAM17PARP10
SCHEMBL2207364 0.75 BCHE (0.43) FFAR4SLC2A1FFAR1SIRT2ADAM17
SCHEMBL4568813 0.75 TLR4 (0.51) KDM4EALDH1A1TDP1PARP10PARP15
SCHEMBL19693446 0.74 TP53 (0.43)
SCHEMBL4568768 0.74 TLR4 (0.53) KDM4EALDH1A1TDP1SIRT2ADAM17
SCHEMBL4568904 0.74 TLR4 (0.53) KDM4EALDH1A1TDP1SIRT2ADAM17
SCHEMBL4568767 0.74 TLR4 (0.53) KDM4EALDH1A1TDP1SIRT2ADAM17

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