SCHEMBL13675353

SCHEMBL13675353

CC1=C(CCc2ccc(CCC(=O)O)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.57
PPARD Q03181 1/20 0.54
PPARA Q07869 1/20 0.54
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
APAF1 O14727 1/20 0.52
MITF O75030 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KEAP1 Q14145 1/20 0.51
CDC25B P30305 2/20 0.51
MAP2K7 O14733 1/20 0.51
CDC25A P30304 1/20 0.51
FFAR4 Q5NUL3 4/20 0.50
S100A4 P26447 1/20 0.47
PTPN1 P18031 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
SCHEMBL13649357 0.89 MAPT (0.59) FFAR1MAPTKDM4EALDH1A1LMNA
SCHEMBL7905154 0.86 S100A4 (0.57) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL16938304 0.84 STAT3 (0.46) FFAR1PPARDPPARAMAPTKDM4E
SCHEMBL30005823 0.83 MAPT (0.56) FFAR1MAPTKDM4EALDH1A1LMNA
SCHEMBL4446630 0.83 MAPT (0.56) FFAR1MAPTKDM4EALDH1A1LMNA
SCHEMBL11421782 0.82 MAPT (0.55) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL12761936 0.81 TBXAS1 (0.47) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL9709635 0.81 MAPT (0.54) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL21940525 0.81 MAPT (0.54) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL29263294 0.81 MAPT (0.54) 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 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