SCHEMBL8727031

SCHEMBL8727031

CCCCCCCC(OC(CCCCCCC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
ASAH2 Q9NR71 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
CYP19A1 P11511 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL11308398 1.00 MGLL (0.46) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL9165350 1.00 MGLL (0.46) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL21434976 0.86 MGLL (0.48) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL10685197 0.85 MGLL (0.47) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL21434978 0.85 MGLL (0.47) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL17294442 0.83 CYP19A1 (0.51) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL6683050 0.81 ASAH2 (0.47) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL10607585 0.81 ASAH2 (0.47) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL10610870 0.81 ASAH2 (0.47) MGLLASAH2KCNH2MAPTL3MBTL1
SCHEMBL378398 0.80 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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-5800624-A LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER UNIVERSITY OF NOTRE DAME (US) 1998-09-01 US disclosed