SCHEMBL6765101

SCHEMBL6765101

CC(CCc1ccc(C#CCCOCc2ccccc2)s1)COC(=O)C(=O)OCC(C)CCc1ccc(C#CCCOCc2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
PSMB11 A5LHX3 1/20 0.33
PSMD11 O00231 1/20 0.33
PSMD12 O00232 1/20 0.33
PSMD14 O00487 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMD3 O43242 1/20 0.33
PSMC3 P17980 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMA5 P28066 1/20 0.33
PSMB4 P28070 1/20 0.33
PSMB6 P28072 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMC2 P35998 1/20 0.33

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
SCHEMBL6765094 0.96 DPP4 (0.41) DPP4PSMB11PSMD11PSMD12PSMD14
Oxalic Acid SCHEMBL6765105 0.87 DPP4 (0.40) DPP4CHRNB2CHRNB4CHRNA3CHRNA4
Oxalic Acid SCHEMBL5170460 0.82 DPP4 (0.39) DPP4FFAR1SMN1; SMN2ALDH1A1HTT
SCHEMBL5170465 0.82 DPP4 (0.37) DPP4SMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL5165250 0.81 DPP4 (0.37) DPP4
SCHEMBL6775342 0.73 HCAR2 (0.40) MMP9NAAA
SCHEMBL6775335 0.72 HCAR2 (0.45) ALDH1A1MMP9NAAA
SCHEMBL383883 0.71 S1PR4 (0.40) DPP4SMN1; SMN2ALDH1A1
SCHEMBL5168187 0.71 FFAR1 (0.36) DPP4FFAR1SMN1; SMN2
SCHEMBL5165257 0.71 DPP4 (0.33) 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-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed