SCHEMBL2230161

SCHEMBL2230161

C=CCC(C#N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
FDPS P14324 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
SCHEMBL154334 0.76 ALDH1A1 (0.32) ALDH1A1FDPS
SCHEMBL2226930 0.76 SHBG (0.35) ALDH1A1FDPS
SCHEMBL2230441 0.73 FDPS (0.32) FDPS
SCHEMBL31634159 0.70 FDPS (0.38) ALDH1A1FDPS
SCHEMBL28114244 0.68 DPP4 (0.35)
SCHEMBL153157 0.68 FDPS (0.32) ALDH1A1FDPS
SCHEMBL150898 0.67 ADH1C (0.31) ALDH1A1
SCHEMBL153757 0.66 FDPS (0.32) FDPS
SCHEMBL151706 0.65 ADH1C (0.33) ALDH1A1
SCHEMBL2227509 0.65 ADH1C (0.38) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed