SCHEMBL6904418

SCHEMBL6904418

CCOC12CC3CC(C1)CC(OCC)(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14149404 0.92 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10414911 0.87 TSHR (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3361994 0.86 GRIN1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5917754 0.86 PKM (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10414910 0.86 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL270387 0.85 NPSR1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25509338 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12994566 0.82
SCHEMBL7741665 0.80 ALDH1A1 (0.48) NPSR1GAAKMT2ALMNAALDH1A1
SCHEMBL17448264 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1258292-B1 Oxidation catalytic system and oxidation process using same DAICEL CHEM (JP) 2004-05-19 EP disclosed
EP-0824962-B1 USE OF AN OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEM (JP) 2003-05-07 EP disclosed
EP-0858835-B1 Oxidation catalytic system and oxidation process DAICEL CHEM (JP) 2003-05-07 EP disclosed
CN-1098124-C Oxidation catalyst system and process for oxidation with the same DAICEL CHEM (JP) 2003-01-08 CN disclosed
EP-1258292-A1 Oxidation catalytic system and oxidation process using same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-20 EP disclosed
US-5981420-A OXIDATION CATALYSTS SYSTEM CONSISTS OF AN N-HYDROXY OR N-OXY IMIDE COMPOUND AND A TRANSITION METAL COMPOUND EXCLUDING A POLYACID AS COCATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-09 US disclosed
US-5958821-A EPOXIDATION OF AN ALKENE USING A CYCLIC N-HYDROXYIMIDE AND A COCATALYST OF A COMPOUND OF A GROUP 2A OR TRANSITION METAL USING OXYGEN; CATALYST SELECTIVITY; FREE OF PHOSPHO-VANADOMOLYBDIC ACID OR TETRAPHENYLPORPHYRINTOATO MANGANESE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0858835-A1 Oxidation catalytic system and oxidation process Daicel Chemical Industries, Ltd. (JP) 1998-08-19 EP disclosed
CN-1185757-A Oxidation catalyst system and oxidation process using the same DAICEL CHEM (JP) 1998-06-24 CN disclosed
EP-0824962-A1 OXIDATION CATALYST SYSTEM AND PROCESS FOR OXIDATION WITH THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed