SCHEMBL2226930

SCHEMBL2226930

CCC(C#N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.35
ADH1A P07327 3/20 0.34
ADH1C P00326 2/20 0.34
FDPS P14324 1/20 0.34
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ADH1B P00325 1/20 0.31

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
SCHEMBL2230441 0.77 FDPS (0.32) FDPS
SCHEMBL2230161 0.76 ALDH1A1 (0.33) FDPSALDH1A1
SCHEMBL2227509 0.72 ADH1C (0.38) ADH1AADH1CFDPSADH1B
SCHEMBL20988082 0.72 SHBG (0.42) SHBGADH1AADH1CFDPSMEN1
SCHEMBL2481387 0.70 SHBG (0.41) SHBGADH1AADH1CFDPSMEN1
SCHEMBL153757 0.69 FDPS (0.32) FDPS
SCHEMBL25220133 0.68 FDPS (0.42) SHBGADH1AADH1CFDPSMEN1
SCHEMBL9622549 0.68 FDPS (0.38) FDPS
SCHEMBL15303113 0.68 SHBG (0.39) SHBGADH1AADH1CFDPSMEN1
SCHEMBL737493 0.68 SHBG (0.39) SHBGADH1AADH1CFDPSMEN1

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