SCHEMBL16908271

SCHEMBL16908271

CCCCCCCCCCCCOC(C)(C)CCOC(C)(C)N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.34
CA2 P00918 9/20 0.34
CA9 Q16790 8/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
SMPD1 P17405 4/20 0.33
GBA1 P04062 2/20 0.33
DNM1 Q05193 1/20 0.33
FDPS P14324 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
MEN1 O00255 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
SCHEMBL9006918 0.88 CA1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL2414342 0.85 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL20932907 0.84 THRB (0.33) CA1CA2CA9CA12CA7
SCHEMBL20367246 0.82 CA1 (0.30) CA1CA2CA9CA12MEN1
SCHEMBL1887792 0.81 THRB (0.38) CA1CA2CA9CA12CA7
SCHEMBL28775036 0.81 THRB (0.38) CA1CA2CA9CA12CA7
SCHEMBL20775408 0.81 THRB (0.38) CA1CA2CA9CA12CA7
SCHEMBL4966845 0.80 DNM1 (0.42) CA1CA2CA9CA12CA7
SCHEMBL20195965 0.80 LPAR3 (0.36) CA1CA2CA9SMPD1MEN1
Ammonia Solution, Strong SCHEMBL28750734 0.79 THRB (0.36) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9470977-B2 Composition for lithographic printing plate and lithographic printing plate precursor EASTMAN KODAK COMPANY (US) 2016-10-18 US disclosed
US-20150198884-A1 COMPOSITION FOR LITHOGRAPHIC PRINTING PLATE AND LITHOGRAPHIC PRINTING PLATE PRECURSOR BANK OF AMERICA, N.A., AS AGENT 2015-07-16 US disclosed