SCHEMBL6111169

SCHEMBL6111169

CCCCOc1c(CN(C(=O)O)C(C)(C)C)n(CC(C)C)c(=O)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.44
EDNRA P25101 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.37
PTGES O14684 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6106223 0.92 DPP4 (0.41) DPP4EDNRAALOX5PTGS1PTGS2
SCHEMBL6107691 0.91 ALOX5 (0.37) ALOX5PTGS1PTGS2PLA2G2DL3MBTL1
SCHEMBL6106220 0.88 DPP4 (0.45) DPP4
SCHEMBL6108742 0.88 AVPR1B (0.37) ALOX5PTGS1PTGS2PLA2G2DL3MBTL1
SCHEMBL6109264 0.87 ALOX5 (0.37) ALOX5PTGS1PTGS2PLA2G2DL3MBTL1
SCHEMBL6109274 0.87 DPP4 (0.54) DPP4
SCHEMBL6107876 0.87 DPP4 (0.43) DPP4
SCHEMBL6107740 0.87 PGR (0.39) DPP4
SCHEMBL6110225 0.86 DPP4 (0.57) DPP4
SCHEMBL6108201 0.85 DPP4 (0.39) DPP4

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
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed