SCHEMBL571005

SCHEMBL571005

CCCC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
APAF1 O14727 1/20 0.53
MITF O75030 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CDC25B P30305 5/20 0.52
CDC25A P30304 4/20 0.52
S100A4 P26447 4/20 0.52
MAP2K7 O14733 2/20 0.52
PKM P14618 6/20 0.51
TBXAS1 P24557 1/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5820368 0.90 MAPT (0.58) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL571120 0.89 PKM (0.54) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL12761936 0.88 TBXAS1 (0.47) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL14307223 0.87 CDC25B (0.50) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL572112 0.87 ALDH1A1 (0.56) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL8258715 0.86 CDC25B (0.46) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL571040 0.85 ALDH1A1 (0.58) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL571286 0.85 ALDH1A1 (0.58) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL571607 0.85 ALDH1A1 (0.58) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL572045 0.85 ALDH1A1 (0.58) MAPTKDM4EALDH1A1LMNAHTT

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
WO-2015183985-A2 THERAPEUTIC COMPOSITIONS INCLUDING NAPHTHOQUINONES AND USES THEREOF STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2015-12-03 WO disclosed
EP-2707354-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS Nicox S.A. (FR) 2014-03-19 EP disclosed
EP-2600857-A2 TREATMENT OF MITOCHONDRIAL DISEASES WITH NAPHTHOQUINONES Edison Pharmaceuticals, Inc. (US) 2013-06-12 EP disclosed
WO-2013060673-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX S.A. (FR) 2013-05-02 WO disclosed
WO-2012019029-A2 TREATMENT OF MITOCHONDRIAL DISEASES WITH NAPHTHOQUINONES EDISON PHARMACEUTICALS, INC. (US) 2012-02-09 WO disclosed