SCHEMBL7216342

SCHEMBL7216342

NC(=O)C1COc2c(F)cccc2O1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
SIRT1 Q96EB6 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
MAPK1 P28482 2/20 0.44
NISCH Q9Y2I1 1/20 0.44
CYP11B1 P15538 7/20 0.44
CYP11B2 P19099 7/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 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
SCHEMBL1519103 0.88 CA2 (0.49) CA2MAPK1CYP11B1CYP11B2L3MBTL1
SCHEMBL7216006 0.88 L3MBTL1 (0.45) CA2SIRT1SIRT2MAPK1NISCH
SCHEMBL8116022 0.83 CHRNB4 (0.47) SIRT1SIRT2NISCHCYP11B1CYP11B2
SCHEMBL1519238 0.80 L3MBTL1 (0.46) CA2MAPK1L3MBTL1KDM4EGAA
SCHEMBL11484736 0.78 HPGD (0.48) L3MBTL1MEN1KMT2AKDM4E
SCHEMBL30946854 0.76 NISCH (0.71) NISCHL3MBTL1MEN1KMT2AKDM4E
SCHEMBL2977327 0.76 NISCH (0.71) NISCHL3MBTL1MEN1KMT2AKDM4E
SCHEMBL1519087 0.75 L3MBTL1 (0.45) CA2MAPK1L3MBTL1KDM4EGAA
SCHEMBL16413927 0.75 SIRT1 (0.45) SIRT1SIRT2MAPK1NISCHCYP11B1
Hydrochloric Acid SCHEMBL11099585 0.75 NISCH (0.69) NISCHL3MBTL1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610725-B1 Alpha 2-adrenergic receptor antagonist and intended in this respect to treat neurodegenerative diseases, PIERRE FABRE MEDICAMENT (FR) 2003-08-26 US claimed
EP-1192152-B1 NOVEL FLUORINATED IMIDAZOLINE BENZODIOXANE, PREPARATION AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2002-11-27 EP claimed
CN-101372483-A Method for synthesizing substituted benzo (1,4) dioxane derivative BEIJING CHARNA CHEMICALS LTD (CN) 2009-02-25 CN disclosed
US-6610725-B1 Alpha 2-adrenergic receptor antagonist and intended in this respect to treat neurodegenerative diseases, PIERRE FABRE MEDICAMENT (FR) 2003-08-26 US disclosed
EP-1192152-B1 NOVEL FLUORINATED IMIDAZOLINE BENZODIOXANE, PREPARATION AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2002-11-27 EP disclosed
EP-1192152-A1 NOVEL FLUORINATED IMIDAZOLINE BENZODIOXANE, PREPARATION AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2002-04-03 EP disclosed
WO-2001000619-A1 NOVEL FLUORINATED IMIDAZOLINE BENZODIOXANE, PREPARATION AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2001-01-04 WO disclosed