SCHEMBL8778076

SCHEMBL8778076

CCCCCCCN(C)C(=O)Nc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SOAT1 P35610 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HCAR3 P49019 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
VCAM1 P19320 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
SCHEMBL8777955 0.81 HDAC1 (0.60) SOAT1PPARGPPARA
SCHEMBL8777853 0.79 EPHX2 (0.57) KCNMA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL13811051 0.75 ICMT (0.57) MAPTMAPK1ALDH1A1PPARGPPARA
SCHEMBL4060607 0.74 HCAR3 (0.52) MAPTTDP1NPSR1ALDH1A1HCAR3
SCHEMBL4060610 0.74 HCAR3 (0.52) MAPTTDP1NPSR1ALDH1A1HCAR3
SCHEMBL8135625 0.74 KCNMA1 (0.55) KCNMA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL1170111 0.74 HCAR3 (0.66) MAPTMAPK1ALDH1A1HCAR3LMNA
SCHEMBL30585155 0.73 MAPT (0.64) KCNMA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL571816 0.73 MAPT (0.64) KCNMA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL1266704 0.72 KCNMA1 (0.62) KCNMA1MAPTMAPK1TDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed