SCHEMBL571008

SCHEMBL571008

CCCCCCCC1=C(C)C(=O)c2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
ALDH1A1 P00352 1/20 0.60
THRB P10828 1/20 0.60
ALOX5 P09917 17/20 0.44
MPEG1 Q2M385 4/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAOA P21397 1/20 0.44
TBXA2R P21731 1/20 0.44
MAPK1 P28482 1/20 0.44
AVPR2 P30518 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
HTT P42858 1/20 0.44
PDE3A Q14432 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL571500 1.00 MAPT (0.60) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL571593 1.00 MAPT (0.60) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL571069 1.00 MAPT (0.60) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL571989 1.00 MAPT (0.60) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL571575 0.98 MAPT (0.58) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL571095 0.94 MAPT (0.51) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL571947 0.87 MAPT (0.42) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL571964 0.84 ALDH1A1 (0.54) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL571482 0.84 ALDH1A1 (0.54) MAPTTDP1ALDH1A1THRBALOX5
SCHEMBL571073 0.84 ALDH1A1 (0.54) MAPTTDP1ALDH1A1THRBALOX5

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
WO-2015183985-A2 THERAPEUTIC COMPOSITIONS INCLUDING NAPHTHOQUINONES AND USES THEREOF STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2015-12-03 WO disclosed
EP-2600857-A2 TREATMENT OF MITOCHONDRIAL DISEASES WITH NAPHTHOQUINONES Edison Pharmaceuticals, Inc. (US) 2013-06-12 EP disclosed
WO-2012019029-A2 TREATMENT OF MITOCHONDRIAL DISEASES WITH NAPHTHOQUINONES EDISON PHARMACEUTICALS, INC. (US) 2012-02-09 WO disclosed