SCHEMBL7735041

SCHEMBL7735041

CC(=O)[C@@H]1CCCC2C1CCC[C@H]2CO

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL7733851 0.85 CYP2C9 (0.32)
SCHEMBL7252087 0.83 EPHX1 (0.36)
SCHEMBL821002 0.78 TDP1 (0.39) PABPC1APOBEC3AAPOBEC3G
SCHEMBL7735491 0.75 PEPD (0.41)
SCHEMBL7251600 0.74 CA1 (0.31)
SCHEMBL4612156 0.74 CA1 (0.31)
SCHEMBL7737329 0.74 EPHX1 (0.43)
SCHEMBL7737326 0.72 EPHX1 (0.33)
SCHEMBL17829496 0.72 ALDH1A1 (0.32)
SCHEMBL7247031 0.71 EPHX1 (0.35)

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