SCHEMBL80849

SCHEMBL80849

CCCCCCCCCCCCCCOC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)OCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
HCAR2 Q8TDS4 2/20 0.45
EPHX1 P07099 1/20 0.44
TSHR P16473 3/20 0.43
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 6/20 0.40
HTR2C P28335 1/20 0.39

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
SCHEMBL82047 1.00 NAAA (0.47) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL11516930 0.95 NAAA (0.46) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL11516943 0.95 NAAA (0.46) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL11516902 0.95 NAAA (0.46) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL9625943 0.95 NAAA (0.46) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL11514255 0.93 NAAA (0.43) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL8387306 0.93 NAAA (0.43) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL82169 0.93 ATM (0.47) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL11517377 0.91 NAAA (0.42) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL8504674 0.88 NAAA (0.44) NAAAHCAR2EPHX1TSHRRAD52

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-1910283-B1 REACTOR FOR PRODUCING ORGANIC PEROXIDES VIA THE INTERMEDIATE OF A SOLID HYDROPEROXIDE EVONIK DEGUSSA GMBH (DE) 2013-06-26 EP disclosed
US-8128886-B2 Reactor for preparing organic peroxides via the intermediate of a solid hydroperoxide UNITED INITIATORS GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090187048-A1 Reactor for Preparing Organic Peroxides Via the Intermediate of a Solid Hydroperoxide UNITED INITIATORS GMBH (DE) 2009-07-23 US disclosed