SCHEMBL4190488

SCHEMBL4190488

Nc1c(CCl)c2ccccc2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 15/20 0.62
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 6/20 0.62
MAPT P10636 5/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.50
ALOX15 P16050 1/20 0.50
POLB P06746 2/20 0.49
AGTR1 P30556 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NQO1 P15559 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 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
SCHEMBL28181695 0.87 GAA (0.59) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL21645801 0.83 GAA (0.62) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL3931144 0.79 GAA (0.57) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL27994626 0.79 GAA (0.57) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7192591 0.79 GAA (0.57) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1230426 0.77 GAA (1.00) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL8594791 0.75 SRC (0.54) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL28320998 0.73 GAA (0.69) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11693383 0.73 GAA (0.69) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL31178946 0.73 GAA (0.69) GAAKDM4EALDH1A1MAPTHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841784-A4 VACUOLE TARGETING PEPTIDE AND NUCLEIC ACID SUGAR INDUSTRY INNOVATION PTY (AU) 2009-02-25 EP disclosed
EP-1841784-A1 VACUOLE TARGETING PEPTIDE AND NUCLEIC ACID Sugar Industry Innovation Pty Ltd (AU) 2007-10-10 EP disclosed
EP-1707622-A1 USE OF COMPOUNDS THAT REGULATE HDAC6 TUBULIN DEACETYLASE ACTIVITY IN THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS, METHOD OF IDENTIFYING THE AFOREMENTIONED REGULATING COMPOUNDS, SAID PHARMACEUTICAL COMPOUNDS AND APPLICATIONS THEREOF UNIVERSIDAD AUTONOMA DE MADRID CIUDAD UNIVERSITARIA CANTOBLANCO (ES) 2006-10-04 EP disclosed
WO-2006066358-A1 VACUOLE TARGETING PEPTIDE AND NUCLEIC ACID SUGAR INDUSTRY INNOVATION PTY LTD (AU) 2006-06-29 WO disclosed