SCHEMBL82169

SCHEMBL82169

CCCCOC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HCAR2 Q8TDS4 3/20 0.42
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.40
NAAA Q02083 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 2/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35

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
SCHEMBL7059827 0.95 ATM (0.46) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL80849 0.93 NAAA (0.47) ATMALDH1A1HCAR2TSHRNAAA
SCHEMBL82047 0.93 NAAA (0.47) ATMALDH1A1HCAR2TSHRNAAA
SCHEMBL8387306 0.89 NAAA (0.43) ATMALDH1A1HCAR2TSHRNAAA
SCHEMBL11514255 0.89 NAAA (0.43) ATMALDH1A1HCAR2TSHRNAAA
SCHEMBL5076033 0.89 ATM (0.47) ATMALDH1A1HCAR2TSHRHPGD
SCHEMBL6927551 0.89 HCAR2 (0.38) ATMALDH1A1HCAR2TSHRTDP1
SCHEMBL11516902 0.88 NAAA (0.46) ATMALDH1A1HCAR2TSHRNAAA
SCHEMBL11516930 0.88 NAAA (0.46) ATMALDH1A1HCAR2TSHRNAAA
SCHEMBL11516943 0.88 NAAA (0.46) ATMALDH1A1HCAR2TSHRNAAA

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 5 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
US-20030013815-A1 Process for preparation of elastomer modified polymer compositions with enhanced rubber phase volume fraction ATOFINA CHEMICALS, INC. 2003-01-16 US disclosed
EP-1044994-A1 Process for preparation of elastomer modified polymer compositions with enhanced rubber phase volume fraction ATOFINA CHEMICALS, INC. (US) 2000-10-18 EP disclosed