SCHEMBL5481212

SCHEMBL5481212

CCOC(=O)C(=C(C)C)C(OCC)(OCC)n1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
GLO1 Q04760 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
SCHEMBL28197943 0.69 SMN1; SMN2 (0.35) SMN1; SMN2GLO1
SCHEMBL28309445 0.66 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL6525074 0.65 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL15966937 0.63 SMN1; SMN2 (0.33) SMN1; SMN2
Ethyl Acetate SCHEMBL27833059 0.63 ALDH1A1 (0.67) SMN1; SMN2
SCHEMBL21758270 0.61 ALDH1A1 (0.47) SMN1; SMN2GLO1
SCHEMBL9615241 0.60 MEN1 (0.42) SMN1; SMN2GLO1
SCHEMBL13269473 0.59 GLO1 (0.37) SMN1; SMN2GLO1
Urethane SCHEMBL821596 0.58 ALOX15 (0.68) SMN1; SMN2
Ethyl Acetate SCHEMBL27762106 0.57 ALDH1A1 (0.56) SMN1; SMN2

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
US-20070197688-A1 Masterbatch Composition, Rubber Composition Containing The Same, And Valucanizate ZEON CORPORATION (JP) 2007-08-23 US disclosed