SCHEMBL83162

SCHEMBL83162

CC(C)(CCC(C)(C)OOC(=O)OC1CCCCC1)OOC(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
NAAA Q02083 2/20 0.39
HTT P42858 3/20 0.38
CYP19A1 P11511 4/20 0.38
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL11516351 0.88 NAAA (0.50) EPHX1NAAAHTTCYP19A1
SCHEMBL11517597 0.88 NAAA (0.50) EPHX1NAAAHTTCYP19A1
SCHEMBL11517840 0.88 NAAA (0.50) EPHX1NAAAHTTCYP19A1
SCHEMBL11516353 0.87 EPHX1 (0.40) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL19452468 0.86 EPHX1 (0.42) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL11516680 0.86 NAAA (0.49) EPHX1NAAAHTTCYP19A1
SCHEMBL7931090 0.85 EPHX1 (0.41) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL8507211 0.84 EPHX1 (0.42) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL82694 0.83 APOBEC3A (0.44) EPHX1HTTCYP19A1SMN1; SMN2NPC1
SCHEMBL9101612 0.83 EPHX1 (0.37) EPHX1NAAAHTTCYP19A1CYP2C19

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