SCHEMBL2202136

SCHEMBL2202136

C=CCOCC(C)OOCC=C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
CA7 P43166 1/20 0.41
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL17111000 0.84 CA1 (0.31) CA1CA2CA9CA7
SCHEMBL6281116 0.81 CA1 (0.41) CA1CA2CA9CA7MEN1
SCHEMBL8518064 0.79 CA1 (0.46) CA1CA2CA9CA7MEN1
SCHEMBL9715706 0.77
SCHEMBL733880 0.77
SCHEMBL827408 0.77 CA1 (0.45) CA1CA2CA9CA7MEN1
SCHEMBL16361587 0.77 CA1 (0.45) CA1CA2CA9CA7MEN1
SCHEMBL24220212 0.76 CA1 (0.43) CA1CA2CA9CA7MEN1
SCHEMBL176303 0.76
SCHEMBL31756334 0.76 CA1 (0.43) CA1CA2CA9CA7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524849-B2 Hydrophilic organofunctional silicone copolymers WACKER CHEMIE AG (DE) 2013-09-03 US claimed
US-20110163254-A1 Hydrophilic Organofunctional Silicone Copolymers WACKER CHEMIE AG (DE) 2011-07-07 US claimed
US-20080207825-A1 Hydrophilic Organofunctional Silicone Copolymers WACKER CHEMIE AG (DE) 2008-08-28 US claimed
US-8524849-B2 Hydrophilic organofunctional silicone copolymers WACKER CHEMIE AG (DE) 2013-09-03 US disclosed
US-20110163254-A1 Hydrophilic Organofunctional Silicone Copolymers WACKER CHEMIE AG (DE) 2011-07-07 US disclosed