SCHEMBL6079563

SCHEMBL6079563

C1CCC(C2CC2)[C](C2CCCC2)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4654054 0.95 NOS3 (0.32) NOS3NOS1NOS2KDM4EPOLB
SCHEMBL4655276 0.95 NOS3 (0.37) NOS3NOS1NOS2KDM4EPOLB
SCHEMBL551237 0.93 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL3949245 0.93 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL11231757 0.93 NOS3 (0.35) NOS3NOS1NOS2KDM4EPOLB
SCHEMBL5271505 0.93 NOS3 (0.35) NOS3NOS1NOS2KDM4EPOLB
SCHEMBL18274776 0.93 NOS3 (0.35) NOS3NOS1NOS2KDM4EPOLB
SCHEMBL8529809 0.93 NOS3 (0.35) NOS3NOS1NOS2KDM4EPOLB
SCHEMBL5302811 0.93 NOS3 (0.35) NOS3NOS1NOS2KDM4EPOLB
SCHEMBL7761924 0.93 NOS3 (0.35) NOS3NOS1NOS2KDM4EPOLB

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-20060219636-A1 Siloxane-immobilized particulate stationary phases for chromatographic separations and extractions WATERS INVESTMENTS LIMITED (DE) 2006-10-05 US disclosed