SCHEMBL7744480

SCHEMBL7744480

CCCCCC(CC)OC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
GAA P10253 4/20 0.36
KMT2A Q03164 3/20 0.36
ACHE P22303 1/20 0.35
MEN1 O00255 2/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
TLR2 O60603 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 1/20 0.32

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
SCHEMBL28536921 0.91 KMT2A (0.33) MAOBMAOAGAAKMT2AACHE
SCHEMBL769424 0.90 ALDH1A1 (0.37) MAOBMAOAGAAKMT2AACHE
SCHEMBL4445488 0.89 GAA (0.35) MAOBMAOAGAAKMT2AACHE
SCHEMBL7162789 0.84 GAA (0.35) MAOBMAOAGAAKMT2AACHE
SCHEMBL29768836 0.84 ALDH1A1 (0.41) MAOBMAOAGAAKMT2AMEN1
SCHEMBL906105 0.84 ALDH1A1 (0.41) MAOBMAOAGAAKMT2AMEN1
SCHEMBL3350961 0.84 GAA (0.49) GAAKMT2AMEN1CNR1CNR2
SCHEMBL9748294 0.84 GAA (0.37) MAOBMAOAGAAKMT2AACHE
SCHEMBL23533531 0.84 CNR2 (0.41) MAOBMAOAGAAKMT2AMEN1
SCHEMBL9871733 0.84 CNR2 (0.41) MAOBMAOAGAAKMT2AMEN1

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-2001023498-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF STABILIZER DISPERSIONS BASF AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed