SCHEMBL16953873

SCHEMBL16953873

C=[C]c1cccc(CCC)c1OCC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
GRM5 P41594 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL16950501 0.86 L3MBTL1 (0.40) ELANEMAPTNPSR1L3MBTL1ADRA2A
SCHEMBL16958728 0.85 ALOX5 (0.35) ELANE
SCHEMBL16957666 0.83 NPC1 (0.35) MAPTNPSR1L3MBTL1GABRA1GABRB2
SCHEMBL16954576 0.80 AR (0.34)
SCHEMBL29057233 0.78 FFAR1 (0.41) ELANEMAPT
SCHEMBL16958481 0.77 ALDH1A1 (0.41) MAPTNPSR1L3MBTL1
SCHEMBL16961332 0.77 ELANE (0.39) ELANEMAPTNPSR1L3MBTL1ADRA2A
SCHEMBL16956475 0.77 SCN4A (0.38) ELANEMAPTGRM5
SCHEMBL16951614 0.76 NQO1 (0.31)
SCHEMBL16954482 0.76 GAA (0.35) MAPTL3MBTL1GRM5

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed