SCHEMBL6444263

SCHEMBL6444263

CO[SiH](CCCCCCNCCN)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA6 P23280 5/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 5/20 0.44
CA14 Q9ULX7 5/20 0.44
CA5B Q9Y2D0 5/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA5A P35218 4/20 0.44
CA3 P07451 3/20 0.44
ALOX15 P16050 3/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
F13A1 P00488 2/20 0.42
CYP1A2 P05177 2/20 0.42
THPO P40225 2/20 0.42
CASP2 P42575 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8429184 1.00 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL19549540 1.00 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL27989 0.98 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL483129 0.96 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL28287888 0.96 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL5156008 0.94 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL8381603 0.94 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL8169037 0.92 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL2871572 0.92 CA12 (0.54) CA12CA6CA7CA9CA14
SCHEMBL449731 0.91 CA12 (0.48) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022291-B1 Modified diene elastomer and its preparation UBE INDUSTRIES (JP) 2005-01-19 EP disclosed
US-6294624-B1 POLYMERIZING DIOLEFIN COMPOUND HAVING CONJUGATED DOUBLE BOND IN IQUID PHASE IN THE PRESENCE OF A COBALT COMPOUND, AN ORGANIC ALUMINUM HALIDE AND WATER TO GIVE DIENE ELASTOMER SOLUTION; MODIFYING BY REACTING WITH MODIFIER COMPOUND UBE INDUSTRIES, LTD. (JP) 2001-09-25 US disclosed
EP-1022291-A1 Modified diene elastomer and its preparation Ube Industries, Ltd. (JP) 2000-07-26 EP disclosed