SCHEMBL571607

SCHEMBL571607

CCCCCCCCCCCCCCCCCCCCC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
THRB P10828 1/20 0.58
PTPN1 P18031 1/20 0.55
PKM P14618 3/20 0.51
MITF O75030 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APAF1 O14727 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRAP1 Q12931 1/20 0.47
MAP2K7 O14733 1/20 0.46
S100A4 P26447 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45

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
SCHEMBL571974 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL15695046 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL17296068 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL571286 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL571040 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL572045 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL572005 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL571017 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL572109 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1
SCHEMBL571081 1.00 ALDH1A1 (0.58) ALDH1A1MAPTTDP1THRBPTPN1

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