SCHEMBL4058702

SCHEMBL4058702

COCc1cc(-c2ccc(S(C)(=O)=O)cc2F)ccc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.49
BRD4 O60885 6/20 0.45
GPR119 Q8TDV5 7/20 0.44
KCNH2 Q12809 3/20 0.43
CYP3A4 P08684 1/20 0.41
PTGER1 P34995 1/20 0.39
CYP2C9 P11712 1/20 0.38

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 0.83 GPR119 (0.42) SLC6A9BRD4GPR119KCNH2
SCHEMBL4051853 0.80 GPR119 (0.44) SLC6A9BRD4GPR119KCNH2
SCHEMBL4056993 0.79 PARP10 (0.45) GPR119
SCHEMBL4051411 0.77 RBP4 (0.37) SLC6A9
SCHEMBL4050230 0.76 PDE4B (0.45)
SCHEMBL4051573 0.75 CCR5 (0.41) PTGER1
SCHEMBL3987252 0.75 GPR119 (0.47) SLC6A9GPR119
SCHEMBL3348738 0.75 GPR119 (0.52) SLC6A9GPR119CYP3A4CYP2C9
SCHEMBL1937388 0.75 SLC6A9 (0.46) SLC6A9BRD4GPR119KCNH2
SCHEMBL4373911 0.75 CLK4 (0.42) SLC6A9GPR119CYP3A4CYP2C9

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