SCHEMBL3970976

SCHEMBL3970976

CCCc1cccc(OCC2CCCCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
SLC2A1 P11166 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PARP15 Q460N3 2/20 0.45
PARP10 Q53GL7 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
CETP P11597 1/20 0.43
ADAM17 P78536 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
SCHEMBL3972767 1.00 TLR4 (0.48) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL3969096 0.98 TLR4 (0.46) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL3969111 0.95 ACACB (0.46) TLR4TLR2SLC2A1PARP15PARP10
SCHEMBL8274392 0.92 CNR1 (0.45) TLR4TLR2
SCHEMBL4568750 0.92 SLC2A1 (0.48) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL3967742 0.92 SLC2A1 (0.48) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL4568833 0.92 SLC2A1 (0.48) TLR4TLR2SLC2A1MAOAMAOB
SCHEMBL4568850 0.90 PPARA (0.53) TLR4TLR2SLC2A1
SCHEMBL4568811 0.90 PPARA (0.49) TLR4TLR2SLC2A1
SCHEMBL24196243 0.88 KDM4E (0.51) TLR4TLR2SLC2A1MAOAMAOB

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