SCHEMBL571497

SCHEMBL571497

CCC1=C(C)C(=O)c2cc(C)c(C)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 4/20 0.43
POR P16435 4/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
APAF1 O14727 1/20 0.36
MITF O75030 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 2/20 0.34
PKM P14618 3/20 0.34
TBXAS1 P24557 1/20 0.33
MAP2K7 O14733 1/20 0.33

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
SCHEMBL571381 0.83 NQO1 (0.38) NQO1PORMAOAMAOBMAPT
SCHEMBL570963 0.80 MAPT (0.45) NQO1PORMAOAMAOBMAPT
SCHEMBL571247 0.80 MALT1 (0.41) MAOAMAOBALDH1A1L3MBTL1KDM4E
SCHEMBL9714008 0.79 XIAP (0.46) NQO1PORMAPTALDH1A1LMNA
SCHEMBL571268 0.79 ALDH1A1 (0.51) MAPTALDH1A1KDM4ETDP1MAPK1
SCHEMBL571496 0.78 MAPT (0.56) MAPTALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5808549 0.78 MAOA (0.56) NQO1PORMAOAMAOBMAPT
SCHEMBL30002616 0.78 MAOA (0.56) NQO1PORMAOAMAOBMAPT
SCHEMBL571964 0.77 ALDH1A1 (0.54) MAPTALDH1A1KDM4ETDP1MAPK1
SCHEMBL571073 0.77 ALDH1A1 (0.54) MAPTALDH1A1KDM4ETDP1MAPK1

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