SCHEMBL7000815

SCHEMBL7000815

CC12CC3CC(C1)C(=O)C(C)(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL6012195 0.78 PKM (0.36)
SCHEMBL12492355 0.74 ALDH1A1 (0.40)
SCHEMBL4005556 0.73 GRIN2D (0.37) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13450994 0.69 TSHR (0.32) TSHR
SCHEMBL16656616 0.69 TSHR (0.32) TSHR
SCHEMBL22399791 0.69 EPHX2 (0.47) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13719057 0.67 TSHR (0.32) TSHR
SCHEMBL3190483 0.66 GRIN1 (0.48) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL733849 0.66 GRIN1 (0.48) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3862479 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
EP-1081150-B1 4-Oxatricyclo(4.3.1.1-3,8)undecan-5-one derivatives and process for producing the same DAICEL CHEM (JP) 2003-10-29 EP disclosed
US-6486330-B1 4-oxatricyclo[4.3.1.1 3,8]undecan-5-one derivative and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
EP-1081150-A1 4-Oxatricyclo(4.3.1.1-3,8)undecan-5-one derivatives and process for producing the same Daicel Chemical Industries, Ltd. (JP) 2001-03-07 EP disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed