SCHEMBL5082638

SCHEMBL5082638

C=C(CCC)[SiH2]N(CCC)CCCC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 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
SCHEMBL5082662 0.92 CA12 (0.32) CA12CA1CA9
SCHEMBL5084639 0.86 CA12 (0.33) CA12CA1CA9
SCHEMBL5085521 0.71
SCHEMBL5085519 0.69 CA12 (0.33) CA12CA1CA9
SCHEMBL25903931 0.68 CA12 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL5082661 0.67 EP300 (0.31)
SCHEMBL706170 0.67 CA12 (0.31) CA12CA1CA9
SCHEMBL25676616 0.66 EPHX2 (0.36) CA12CA1CA9
SCHEMBL5088957 0.65 CA12 (0.31) CA12CA1CA9
SCHEMBL22472302 0.64 CA12 (0.35) CA12CA1CA9

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
WO-2008108377-A1 CONJUGATED DIENE-BASED POLYMER, METHOD FOR MANUFACTURING THE SAME, AND CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-12 WO disclosed