SCHEMBL4602824

SCHEMBL4602824

OCNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.50
DPP7 Q9UHL4 1/20 0.48
EPHX2 P34913 8/20 0.48
EPHX1 P07099 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL23628584 0.89
SCHEMBL2697743 0.85 EPHX2 (0.55) DPP4DPP7EPHX2EPHX1GRIN2D
SCHEMBL1150778 0.85 EPHX2 (0.55) DPP4DPP7EPHX2EPHX1GRIN2D
SCHEMBL158816 0.81 DPP4 (0.58) DPP4DPP7EPHX2EPHX1
SCHEMBL19798760 0.81 EPHX2 (0.58) DPP4EPHX2HTT
Hydrochloric Acid SCHEMBL27500984 0.80 DPP4 (0.56) DPP4DPP7EPHX2EPHX1
SCHEMBL15304324 0.80 EPHX2 (0.39) DPP4DPP7EPHX2EPHX1GRIN2D
SCHEMBL3188537 0.78 GRIN2D (0.50) DPP4DPP7EPHX2EPHX1GRIN2D
SCHEMBL12735376 0.75 DPP4 (0.56) DPP4DPP7EPHX2EPHX1
SCHEMBL1548214 0.74 GRIN2D (0.54) DPP4DPP7EPHX2EPHX1GRIN2D

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
WO-2008049615-A1 USE OF VITAMINS IN FERMENTATION PROCESSES FOR THE PRODUCTION OF AMINO ACIDS DSM IP ASSETS B.V. (NL) 2008-05-02 WO disclosed
EP-1916308-A1 Use of vitamins in fermentation processes for the production of amino acids DSMIP Assets B.V. (NL) 2008-04-30 EP disclosed