SCHEMBL13434962

SCHEMBL13434962

CC(C)[C@H]1OC(=O)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL17774455 1.00 SMN1; SMN2 (0.33) SMN1; SMN2LMNAGAACA1CA9
SCHEMBL20047249 0.82 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL27035890 0.71 CA1 (0.35) SMN1; SMN2CA1CA9
SCHEMBL3821916 0.70 SMN1; SMN2 (0.36) SMN1; SMN2CA1CA9
SCHEMBL10022879 0.68 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL10719706 0.68
SCHEMBL5924132 0.67
SCHEMBL2650942 0.67
SCHEMBL3290890 0.66 LMNA (0.31) LMNAGAA
SCHEMBL7639194 0.66 LMNA (0.31) LMNAGAA

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
WO-2010048616-A2 METHOD FOR SCREENING FOR COMPOUNDS SELECTIVELY INTERACTING WITH RAD9 MAGNACHEM INTERNATIONAL LABORATORIES, INC. (US) 2010-04-29 WO disclosed