SCHEMBL11064795

SCHEMBL11064795

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCCCCCCCCCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MGLL Q99685 2/20 0.46
ESR1 P03372 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
ASAH2 Q9NR71 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL11060688 1.00 MAPT (0.53) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL11063250 1.00 MAPT (0.53) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL11065666 0.93 MAPT (0.47) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL9091623 0.91 MAPT (0.57) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL11577377 0.90 MAPT (0.49) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL10358150 0.86 MAPT (0.45) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL1768015 0.85 MAPT (0.54) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL11577384 0.84 MAPT (0.54) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL2944802 0.84 ALDH1A1 (0.47) MAPTL3MBTL1CRHBPCRHR2MGLL
SCHEMBL2952788 0.84 ALDH1A1 (0.47) MAPTL3MBTL1CRHBPCRHR2MGLL

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
EP-0112344-A1 AMPHIPATHIC COMPOUNDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-07-04 EP disclosed
WO-1983004412-A1 AMPHIPATHIC COMPOUNDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-12-22 WO disclosed