SCHEMBL28516664

SCHEMBL28516664

O=C(O)NCCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.46
▸ PTGS1 P23219 4/20 0.41
▸ PTGS2 P35354 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ FAAH O00519 2/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL19668514 0.95 MGLL (0.45) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL16172443 0.94 MGLL (0.52) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL29441383 0.92 MGLL (0.55) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL29869032 0.92 MGLL (0.55) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL29869052 0.92 MGLL (0.55) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL24621693 0.92 MGLL (0.55) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL30259429 0.92 MGLL (0.55) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL10018583 0.92 MGLL (0.55) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL29608026 0.92 MGLL (0.55) MGLLPTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL19746496 0.92 MGLL (0.43) MGLLPTGS1PTGS2SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107298708-B Glucagon-like peptide-1 (GLP-1) analogue with ether bond and application thereof 中国药科大学 2021-08-06 — — CN disclosed
CN-109232743-B Long-acting hypoglycemic weight-loss peptide, preparation method thereof and application thereof as medicine 中国药科大学 2021-08-06 — — CN disclosed
CN-107056926-B Exendin-4 analogues with ether bonds and application thereof 中国药科大学 2021-01-29 — — CN disclosed
Send feedback