SCHEMBL1821832

SCHEMBL1821832

COC(OC)=C(C(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL23716686 0.77 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL2135963 0.77 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL126750 0.76 TP53 (0.41) TP53
SCHEMBL125330 0.76 TP53 (0.41) TP53
SCHEMBL125331 0.76 TP53 (0.41) TP53
SCHEMBL304296 0.74 TP53 (0.39) TP53
SCHEMBL304298 0.74 TP53 (0.39) TP53
SCHEMBL1275391 0.72
SCHEMBL13982894 0.70 MLYCD (0.31)
SCHEMBL14584344 0.69 FFAR3 (0.35) ALDH1A1TP53

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
EP-2181129-B1 CROSS-LINKABLE MONOMERS AND POLYMERS AND THE USE THEREOF CELANESE EMULSIONS GMBH (DE) 2011-05-04 EP disclosed