SCHEMBL31212

SCHEMBL31212

C[C@]12C=C[C@](C)(C1)[C@@H]1C(=O)N(CCC(=O)ON3C(=O)CCC3=O)C(=O)[C@@H]12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 7/20 0.33
MEN1 O00255 5/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.32
PSMB8 P28062 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.31
MGLL Q99685 1/20 0.31
PSMB5 P28074 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
SCHEMBL15043602 0.86 CACNA1B (0.39) KDM4EKMT2AMEN1GAAALDH1A1
SCHEMBL913292 0.75 SMN1; SMN2 (0.38) KDM4EKMT2AMEN1GAAALDH1A1
SCHEMBL157545 0.73 PTGS1 (0.41) ALDH1A1PSMB8MAPK1SMN1; SMN2MGLL
SCHEMBL12309023 0.73 CYP2D6 (0.33) KMT2AMEN1GAAALDH1A1PSMB8
SCHEMBL30357859 0.72 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1PSMB8SMN1; SMN2
SCHEMBL43576 0.70 PSMB8 (0.35) KMT2APSMB8MAPK1SMN1; SMN2MGLL
Acetonitrile SCHEMBL6034850 0.69 HPGD (0.36) ALDH1A1PSMB8MAPK1SMN1; SMN2MGLL
SCHEMBL20022878 0.69 HPGD (0.36) KMT2AMEN1ALDH1A1PSMB8SMN1; SMN2
SCHEMBL31522720 0.68 PSMB8 (0.34) KMT2APSMB8SMN1; SMN2MGLLPSMB5
SCHEMBL19658319 0.68 SMN1; SMN2 (0.36) KDM4EKMT2AMEN1ALDH1A1PSMB8

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-2012025646-A1 MALEIMIDE‑FURANYL COMPOUNDS THAT CAN BE USED IN A GENERAL METHOD FOR PREPARING MALEIMIDE‑OLIGONUCLEOTIDE DERIVATIVES UNIVERSITAT DE BARCELONA (ES) 2012-03-01 WO disclosed