SCHEMBL6444266

SCHEMBL6444266

COC(CC[SiH3])(CCCNCCN)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA6 P23280 5/20 0.39
CA7 P43166 5/20 0.39
CA9 Q16790 5/20 0.39
CA14 Q9ULX7 5/20 0.39
CA5B Q9Y2D0 5/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA5A P35218 4/20 0.39
CA3 P07451 3/20 0.39
MEN1 O00255 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 3/20 0.36
CA1 P00915 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21297529 0.76 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL40404 0.75 CA12 (0.44) CA12CA6CA7CA9CA14
Ammonia Solution, Strong SCHEMBL22712951 0.72 CA12 (0.41) CA12CA6CA7CA9CA14
SCHEMBL19974313 0.71 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL935472 0.71 KIF11 (0.32)
SCHEMBL7262664 0.70 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL11036494 0.69 CA12 (0.42) CA12CA6CA7CA9CA14
SCHEMBL23178632 0.68 CYP2C19 (0.35) CA12CA6CA7CA9CA14
SCHEMBL6444276 0.68 CA12 (0.41) CA12CA6CA7CA9CA14
SCHEMBL23579739 0.68 CA12 (0.41) 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