SCHEMBL11065666

SCHEMBL11065666

CCCCCCCCCCCCCCCCCCC(C(=O)OCCCCCCCCCCCCCC)c1ccc([N+](=O)[O-])cc1.CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.41
MGLL Q99685 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
POLB P06746 3/20 0.40
ESR1 P03372 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDF Q9HBH1 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
ASAH2 Q9NR71 1/20 0.39
MMP9 P14780 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
SCHEMBL11064795 0.93 MAPT (0.53) MAPTL3MBTL1CRHBPCRHR2LMNA
SCHEMBL11060688 0.93 MAPT (0.53) MAPTL3MBTL1CRHBPCRHR2LMNA
SCHEMBL11063250 0.93 MAPT (0.53) MAPTL3MBTL1CRHBPCRHR2LMNA
SCHEMBL9091623 0.85 MAPT (0.57) MAPTL3MBTL1CRHBPCRHR2GAA
SCHEMBL11577377 0.83 MAPT (0.49) MAPTL3MBTL1CRHBPCRHR2LMNA
SCHEMBL2944802 0.83 ALDH1A1 (0.47) MAPTL3MBTL1CRHBPCRHR2GAA
SCHEMBL2945402 0.83 ALDH1A1 (0.47) MAPTL3MBTL1CRHBPCRHR2GAA
SCHEMBL154514 0.83 ALDH1A1 (0.47) MAPTL3MBTL1CRHBPCRHR2GAA
SCHEMBL153107 0.83 ALDH1A1 (0.47) MAPTL3MBTL1CRHBPCRHR2GAA
SCHEMBL2952788 0.83 ALDH1A1 (0.47) MAPTL3MBTL1CRHBPCRHR2GAA

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