SCHEMBL4610992

SCHEMBL4610992

CC(=O)[C@@H]1CCCC2CCCC[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.32
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 1/20 0.31
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 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
SCHEMBL7247031 1.00 EPHX1 (0.35) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL339518 1.00 EPHX1 (0.35) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL29107738 0.95 EPHX1 (0.35) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL13433450 0.95 EPHX1 (0.35) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL13433447 0.95 EPHX1 (0.35) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL29107877 0.95 EPHX1 (0.35) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL23109104 0.91 HSD11B1 (0.35) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL13328489 0.91 HSD11B1 (0.35) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL6831574 0.88 MEN1 (0.33) EPHX1CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL20614627 0.86 HSD11B1 (0.35) EPHX1ALDH1A1HSD11B1HSD11B2

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 8 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-1055654-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS DAICEL CHEM (JP) 2008-02-20 EP disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
US-6576787-B1 Hydroxymethyl-group-containing alicyclic compound and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-10 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-1070699-A1 ALICYCLIC COMPOUNDS CONTAINING HYDROXYMETHYL GROUP, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZABLE ALICYCLIC COMPOUND Daicel Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 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