SCHEMBL4051853

SCHEMBL4051853

COCc1cc(-c2ccc(S(C)(=O)=O)nc2)ccc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.44
IKBKE Q14164 4/20 0.38
TBK1 Q9UHD2 4/20 0.38
RBP4 P02753 1/20 0.37
MAP4K4 O95819 1/20 0.37
JAK3 P52333 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
SLC6A9 P48067 1/20 0.35
PADI4 Q9UM07 1/20 0.35
BRD4 O60885 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4052435 0.84 GPR119 (0.42) GPR119SLC6A9BRD4KCNH2
SCHEMBL4052686 0.81 TRPC6 (0.42) IKBKETBK1TRPC6
SCHEMBL4050230 0.80 PDE4B (0.45) MAP4K4
SCHEMBL4052952 0.80 PDE4A (0.36) GPR119IKBKETBK1RBP4JAK3
SCHEMBL4058702 0.80 SLC6A9 (0.49) GPR119SLC6A9BRD4KCNH2
SCHEMBL4051411 0.79 RBP4 (0.37) IKBKETBK1RBP4JAK3SLC6A9
SCHEMBL4373911 0.79 CLK4 (0.42) GPR119IKBKETBK1RBP4MAP4K4
SCHEMBL4051573 0.77 CCR5 (0.41) RBP4
SCHEMBL4056993 0.77 PARP10 (0.45) GPR119RBP4
SCHEMBL4368793 0.76 GPR119 (0.54) GPR119PIK3CDPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO claimed
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed