SCHEMBL8529809

SCHEMBL8529809

C1CCCC(C2CCCCC2)[C](C2CCCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11231757 1.00 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL7761924 1.00 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL18240335 1.00 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL10413624 1.00 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL5271505 1.00 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL18274776 1.00 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL551505 0.98 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL4655276 0.98 NOS3 (0.37) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL551237 0.96 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL3949245 0.96 NOS3 (0.33) NOS3NOS1NOS2ALDH1A1MEN1

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
EP-0873304-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-10-28 EP claimed
WO-1997019053-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 WO claimed
EP-0873304-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-10-28 EP disclosed
WO-1997019053-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 WO disclosed
EP-0664803-A1 N-ARYLHETEROARYLALKYL 1-CYCLOALKYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed
WO-1994008989-A1 N-ARYLHETEROARYLALKYL 1-CYCLOALKYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-04-28 WO disclosed
EP-0017614-B1 PROCESS FOR THE PREPARATION OF ESTERS OF MERCAPTOALCANOLS WITH HYDROXYPHENYLCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1982-08-25 EP disclosed