SCHEMBL3966732

SCHEMBL3966732

NCCCc1cccc(CO)c1OCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.38
PARP15 Q460N3 2/20 0.38
MCHR1 Q99705 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4405552 0.76 MCHR1 (0.45) PARP10MCHR1
SCHEMBL4429009 0.72 MCHR1 (0.52) PARP10PARP15MCHR1
SCHEMBL5781772 0.71 RIPK1 (0.54) PARP10PARP15MCHR1
SCHEMBL30580721 0.70 TLR4 (0.46) PARP10PARP15
SCHEMBL2202527 0.70 TLR4 (0.46) PARP10PARP15
SCHEMBL1002808 0.70 TLR4 (0.46) PARP10PARP15
SCHEMBL2204247 0.70 TLR4 (0.46) PARP10PARP15
SCHEMBL2207625 0.69 PARP10 (0.42) PARP10PARP15THRATHRB
SCHEMBL2207362 0.69 SLC2A1 (0.44) PARP10PARP15
SCHEMBL2206503 0.67 TLR4 (0.45) PARP10PARP15

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