SCHEMBL6765094

SCHEMBL6765094

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
FFAR1 O14842 1/20 0.31
FOLH1 Q04609 1/20 0.30
PSMB11 A5LHX3 1/20 0.30
PSMD11 O00231 1/20 0.30
PSMD12 O00232 1/20 0.30
PSMD14 O00487 1/20 0.30
PSMA7 O14818 1/20 0.30
PSMD3 O43242 1/20 0.30
PSMC3 P17980 1/20 0.30
PSMB1 P20618 1/20 0.30
PSMA1 P25786 1/20 0.30
PSMA2 P25787 1/20 0.30
PSMA3 P25788 1/20 0.30

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
SCHEMBL6765101 0.96 DPP4 (0.42) DPP4SMN1; SMN2ALDH1A1CHRNB2CHRNB4
Oxalic Acid SCHEMBL6765105 0.87 DPP4 (0.40) DPP4SMN1; SMN2ALDH1A1CHRNB2CHRNB4
Oxalic Acid SCHEMBL5170460 0.82 DPP4 (0.39) DPP4SMN1; SMN2ALDH1A1FFAR1HTT
SCHEMBL5165250 0.79 DPP4 (0.37) DPP4
SCHEMBL5170465 0.78 DPP4 (0.37) DPP4SMN1; SMN2ALDH1A1HTT
SCHEMBL6775342 0.71 HCAR2 (0.40) MMP9
SCHEMBL6775335 0.71 HCAR2 (0.45) ALDH1A1MMP9
SCHEMBL383883 0.70 S1PR4 (0.40) DPP4SMN1; SMN2ALDH1A1
SCHEMBL385896 0.69 S1PR1 (0.41)
Oxalic Acid SCHEMBL5168183 0.69 PTGER4 (0.38) DPP4FFAR1

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