SCHEMBL2561297

SCHEMBL2561297

CC(C)N(C(C)C)C1(C#N)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.36
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2565999 0.73 PDE4A (0.46) ALDH1A1PDE4ARXFP1
SCHEMBL5069379 0.73 PDE4A (0.46) ALDH1A1PDE4ARXFP1
SCHEMBL3042550 0.70 PDE4A (0.43) ALDH1A1PDE4ARXFP1
SCHEMBL2567754 0.70 CYP1A2 (0.40) PDE4ARXFP1
SCHEMBL16316120 0.69 ALDH1A1 (0.46) ALDH1A1PDE4A
SCHEMBL9592885 0.68 ALDH1A1 (0.36) ALDH1A1PDE4A
SCHEMBL11866122 0.67 PDE4A (0.38) ALDH1A1PDE4A
SCHEMBL11862203 0.67 PDE4A (0.38) ALDH1A1PDE4A
SCHEMBL11862889 0.67 PDE4A (0.38) ALDH1A1PDE4A
SCHEMBL1348404 0.65

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed