SCHEMBL13675411

SCHEMBL13675411

CC1=C(Cc2ccc(CC(=O)O)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.57
ALDH1A1 P00352 6/20 0.57
MAPT P10636 6/20 0.57
HTT P42858 5/20 0.57
KDM4E B2RXH2 5/20 0.57
TDP1 Q9NUW8 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
APAF1 O14727 1/20 0.57
MITF O75030 1/20 0.57
TBXAS1 P24557 1/20 0.54
HPGD P15428 4/20 0.50
NPSR1 Q6W5P4 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALOX12 P18054 3/20 0.50
PKM P14618 2/20 0.50
STAT3 P40763 1/20 0.50
KCNH2 Q12809 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL7912380 0.85 TBXAS1 (0.69) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL12833646 0.85 LMNA (0.57) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL2236453 0.84 MAPT (0.73) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL12833642 0.83 TBXAS1 (0.57) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL12761935 0.82 TBXAS1 (0.60) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL29906409 0.82 TBXAS1 (0.60) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL12761938 0.81 TBXAS1 (0.59) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL12833639 0.81 TBXAS1 (0.59) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL5731336 0.81 TDP1 (0.43) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL10956396 0.80 KDM4E (0.63) LMNAALDH1A1MAPTHTTKDM4E

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
EP-2257515-B1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NAT RECH SCIENT (FR) 2017-05-17 EP disclosed
US-9090549-B2 1,4-naphthoquinones derivatives and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-28 US disclosed
WO-2009118327-A1 1,4-NAPHTHOQUINONE DERIVATIVES AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-01 WO disclosed