SCHEMBL2227509

SCHEMBL2227509

CC(C#N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 2/20 0.38
ADH1A P07327 2/20 0.38
ADH1B P00325 1/20 0.38
FDPS P14324 1/20 0.38
CTSK P43235 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
SCHEMBL3957146 0.77 ADH1A (0.42) ADH1CADH1AADH1BFDPS
Water SCHEMBL5051038 0.75 ADH1A (0.54) ADH1CADH1AADH1BFDPS
SCHEMBL9622549 0.73 FDPS (0.38) FDPS
SCHEMBL28990600 0.72 DPP4 (0.33) ADH1CADH1AADH1BCTSK
SCHEMBL2226930 0.72 SHBG (0.35) ADH1CADH1AADH1BFDPS
SCHEMBL12250814 0.72 ADH1A (0.56) ADH1CADH1AADH1BFDPS
SCHEMBL12250816 0.72 ADH1A (0.56) ADH1CADH1AADH1BFDPS
SCHEMBL2476512 0.72 ADH1A (0.56) ADH1CADH1AADH1BFDPS
SCHEMBL12250815 0.70 ADH1A (0.54) ADH1CADH1AADH1BFDPS
SCHEMBL11719207 0.69 ALOX5 (0.43) ADH1CADH1AADH1BCTSK

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