SCHEMBL8294276

SCHEMBL8294276

COc1cc(OCC2CCC([C@H](N)C(=O)N(C)C3CCC3)CC2)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.53
PARP15 Q460N3 3/20 0.53
FFAR1 O14842 9/20 0.37
ACACB O00763 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL8295077 0.93 PARP10 (0.46) PARP10PARP15FFAR1PARP2MAP4K4
SCHEMBL8294274 0.89 PARP10 (0.43) PARP10PARP15ALDH1A1PARP2MAP4K4
SCHEMBL6242138 0.89 PARP10 (0.43) PARP10PARP15ALDH1A1PARP2MAP4K4
SCHEMBL6242137 0.89 PARP10 (0.43) PARP10PARP15ALDH1A1PARP2MAP4K4
SCHEMBL8294279 0.88 PARP10 (0.54) PARP10PARP15FFAR1
SCHEMBL8295078 0.87 FFAR4 (0.41) PARP10PARP15FFAR1ALDH1A1PARP2
SCHEMBL8295890 0.86 PARP10 (0.47) PARP10PARP15FFAR1
SCHEMBL8295523 0.83 TRPM8 (0.43) ALDH1A1
SCHEMBL8295887 0.83 PARP15 (0.49) PARP10PARP15FFAR1PARP2MAP4K4
SCHEMBL8295870 0.82 TSHR (0.45) MAP4K4

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-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 WO disclosed