SCHEMBL8294274

SCHEMBL8294274

Cc1cc(OCC2CCC([C@H](N)C(=O)N(C)C3CCC3)CC2)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.43
PARP15 Q460N3 6/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP2 Q9UGN5 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
MCHR1 Q99705 4/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL6242137 1.00 PARP10 (0.43) PARP10PARP15MEN1KMT2ANPC1
SCHEMBL6242138 1.00 PARP10 (0.43) PARP10PARP15MEN1KMT2ANPC1
SCHEMBL8295078 0.92 FFAR4 (0.41) PARP10PARP15MEN1KMT2ANPC1
SCHEMBL8294279 0.89 PARP10 (0.54) PARP10PARP15FFAR4
SCHEMBL8294276 0.89 PARP10 (0.53) PARP10PARP15PARP2ALDH1A1MAP4K4
SCHEMBL8295890 0.87 PARP10 (0.47) PARP10PARP15FFAR4
SCHEMBL8295887 0.87 PARP15 (0.49) PARP10PARP15PARP2NR1H4MCHR1
SCHEMBL8295077 0.87 PARP10 (0.46) PARP10PARP15PARP2MAP4K4
SCHEMBL8295904 0.83 PARP15 (0.43) PARP10PARP15PARP2FFAR4
SCHEMBL8296834 0.83 NR1H4 (0.54) KMT2AFFAR4NR1H4MAP4K4

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