SCHEMBL6696570

SCHEMBL6696570

CCOC(=O)CCCCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
CACNA1F O60840 5/20 0.49
CACNA1D Q01668 5/20 0.49
CACNA1S Q13698 5/20 0.49
CACNA1C Q13936 5/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL13214927 0.86 CHRNB2 (0.58) CHRNB2CHRNA4LMNAHPGDMAPT
SCHEMBL5467715 0.85 MAPT (0.69) MAPTL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL655407 0.83 KMT2A (0.62) CHRNB2CHRNA4LMNAHPGDMAPT
SCHEMBL16245527 0.83 MAPT (0.68) MAPTL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL14028449 0.83 CHRNB2 (0.69) CHRNB2CHRNA4LMNAHPGDMAPT
SCHEMBL1491506 0.82 CHRNB2 (0.59) CHRNB2CHRNA4LMNAHPGDMAPT
SCHEMBL4754189 0.82 CHRNB2 (0.58) CHRNB2CHRNA4LMNAHPGDMAPT
SCHEMBL5973196 0.82 CHRNB2 (0.65) CHRNB2CHRNA4LMNAHPGDMAPT
SCHEMBL9795553 0.82 CHRNB2 (0.65) CHRNB2CHRNA4LMNAHPGDMAPT
SCHEMBL9172223 0.82 CHRNB2 (0.65) CHRNB2CHRNA4LMNAHPGDMAPT

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
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed