SCHEMBL7955830

SCHEMBL7955830

COC(=O)C(C)CC(C)(C)C.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA14 Q9ULX7 4/20 0.35
MMP8 P22894 1/20 0.35
CA12 O43570 3/20 0.33
PIK3CD O00329 1/20 0.32
ESRRB O95718 1/20 0.32
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL5539779 0.98 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL17236358 0.98 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL17236363 0.82 PIK3CD (0.41) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL26385278 0.80 SMN1; SMN2 (0.37) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL14459291 0.80 SMN1; SMN2 (0.37) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL20499832 0.79 MMP8 (0.32) MMP8
SCHEMBL20921735 0.78 MMP8 (0.33) MMP8
SCHEMBL28690616 0.78 SMN1; SMN2 (0.35) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL13227918 0.78 CA1 (0.38) SMN1; SMN2CA1CA2CA14MMP8
SCHEMBL17278939 0.78 ACACB (0.37) SMN1; SMN2CA1CA2CA14MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271324-B1 ANIONIC POLYMERIZATION OF ACRYLATES, ORGANO ALKALI METAL COMPOUNDS, ORGANO ALUMINUM COMPOUNDS AND ADDITIVES TO FORM COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-5830961-A USING PROMOTER MIXTURE OF ALKALI METAL ESTER ENOLATE AND ORGANOALUMINUM COMPOUNDS/UND/ BASF AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed