SCHEMBL8207654

SCHEMBL8207654

CC(=O)N(C)[C@H]1CCC[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.37
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
ACE P12821 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11457006 0.81 PEPD (0.41) PEPDMEN1BLMKMT2AACE
SCHEMBL11495481 0.81 PEPD (0.41) PEPDMEN1BLMKMT2AACE
SCHEMBL11495484 0.81 PEPD (0.41) PEPDMEN1BLMKMT2AACE
SCHEMBL15731643 0.79 EPHX1 (0.34)
SCHEMBL283046 0.78 ALDH1A1 (0.33)
SCHEMBL283047 0.78 ALDH1A1 (0.33)
SCHEMBL284320 0.78 ALDH1A1 (0.33)
SCHEMBL11453672 0.77 EPHX1 (0.40) MEN1BLMKMT2A
SCHEMBL15223876 0.77 ALDH1A1 (0.33)
SCHEMBL15223878 0.77 ALDH1A1 (0.33)

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-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed