SCHEMBL9018536

SCHEMBL9018536

CCCCCCOc1cc(C)cc(OCCCCCC)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
S1PR3 Q99500 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PLA2G2A P14555 1/20 0.39

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
SCHEMBL306743 0.86 PLA2G2A (0.50) GAATDP1L3MBTL1THRBS1PR3
SCHEMBL309333 0.86 PLA2G2A (0.50) GAATDP1L3MBTL1THRBS1PR3
SCHEMBL308232 0.86 PLA2G2A (0.50) GAATDP1L3MBTL1THRBS1PR3
SCHEMBL307515 0.86 PLA2G2A (0.50) GAATDP1L3MBTL1THRBS1PR3
SCHEMBL308364 0.86 PLA2G2A (0.50) GAATDP1L3MBTL1THRBS1PR3
SCHEMBL15298525 0.81 THRB (0.46) GAATDP1L3MBTL1THRBPLA2G2A
SCHEMBL30471152 0.81 GAA (0.56) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL21625777 0.81 GAA (0.56) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL14841972 0.81 GAA (0.56) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL11684720 0.80 LMNA (0.52) GAATDP1L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5558904-A Electroluminescent devices containing a conjugated polymer obtained via halogen precursor route chemistry XEROX CORPORATION (US) 1996-09-24 US disclosed