SCHEMBL7737332

SCHEMBL7737332

CC(=O)C12CCCCC1(C)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR3 O14843 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
SCHEMBL15116868 0.83 FFAR3 (0.35) FFAR3
SCHEMBL7252089 0.83 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2FFAR3
SCHEMBL7251613 0.80 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2FFAR3
SCHEMBL27955484 0.77 FFAR3 (0.42) ALDH1A1SMN1; SMN2FFAR3
SCHEMBL4612158 0.76 NPSR1 (0.33)
SCHEMBL4612162 0.76 NPSR1 (0.33)
SCHEMBL7735493 0.74 FFAR3 (0.38) FFAR3
SCHEMBL7244711 0.74 NPSR1 (0.32)
SCHEMBL7737327 0.72 SLC1A2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL15114371 0.72 SMN1; SMN2 (0.31) ALDH1A1SMN1; SMN2

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 3 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
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-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