SCHEMBL27516005

SCHEMBL27516005

CCCc1ccccc1OCCOC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
ABCB1 P08183 1/20 0.42
BRD4 O60885 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
PRKCD Q05655 1/20 0.42

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
SCHEMBL14972584 0.95 PPARD (0.50) PPARDL3MBTL1MAPTNPSR1LTB4R
SCHEMBL74512 0.86 PPARD (0.54) PPARDL3MBTL1MAPTNPSR1LTB4R
SCHEMBL8404955 0.85 L3MBTL1 (0.72) PPARDL3MBTL1MAPTNPSR1NISCH
SCHEMBL31360878 0.85 L3MBTL1 (0.72) PPARDL3MBTL1MAPTNPSR1NISCH
SCHEMBL7999552 0.85 PPARD (0.60) PPARDL3MBTL1MAPTNPSR1LTB4R
SCHEMBL23881819 0.84 L3MBTL1 (0.47) PPARDL3MBTL1MAPTNPSR1KDM4E
SCHEMBL23881855 0.84 L3MBTL1 (0.47) PPARDL3MBTL1MAPTNPSR1HTR1A
SCHEMBL28813037 0.84 L3MBTL1 (0.47) PPARDL3MBTL1MAPTNPSR1HTR1A
SCHEMBL29474947 0.84 L3MBTL1 (0.47) PPARDL3MBTL1MAPTNPSR1KDM4E
SCHEMBL11407644 0.84 L3MBTL1 (0.47) PPARDL3MBTL1MAPTNPSR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
CN-1541214-A Novel compounds 2004-10-27 CN disclosed