SCHEMBL2228405

SCHEMBL2228405

NC(CO)CCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.60
DPP7 Q9UHL4 2/20 0.60
TGM2 P21980 1/20 0.60
HTT P42858 1/20 0.59
ANPEP P15144 1/20 0.58
FOLH1 Q04609 4/20 0.57
DPP4 P27487 1/20 0.56
DPP9 Q86TI2 1/20 0.56
SLC1A3 P43003 1/20 0.56
SLC1A1 P43005 1/20 0.56
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54

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
SCHEMBL3181613 0.99 DPP8 (0.61) DPP8DPP7TGM2HTTANPEP
SCHEMBL2033858 0.99 DPP8 (0.61) DPP8DPP7TGM2HTTANPEP
SCHEMBL2032072 0.99 DPP8 (0.61) DPP8DPP7TGM2HTTANPEP
SCHEMBL6375258 0.95 HTT (0.62) DPP8DPP7TGM2HTTANPEP
Hydrochloric Acid SCHEMBL6374328 0.94 HTT (0.60) DPP8DPP7TGM2HTTANPEP
SCHEMBL27784040 0.89 DPP8 (0.59) DPP8DPP7TGM2HTTANPEP
SCHEMBL1586919 0.88 DPP8 (0.61) DPP8DPP7TGM2HTTANPEP
SCHEMBL1586916 0.88 DPP8 (0.61) DPP8DPP7TGM2HTTANPEP
SCHEMBL28841677 0.88 DPP8 (0.58) DPP8DPP7TGM2HTTANPEP
SCHEMBL2424896 0.88 HTT (0.71) DPP8DPP7TGM2HTTANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809686-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY Cerulean Pharma Inc. (US) 2014-12-10 EP disclosed
WO-2013116200-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-08 WO disclosed
WO-2013025490-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES CERULEAN PHARMA INC. (US) 2013-02-21 WO disclosed
WO-2011090940-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-07-28 WO disclosed