SCHEMBL28508196

SCHEMBL28508196

CC(C)(C)NC(=O)OCCCCCCCCCCCCN1C(=O)C=CC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 8/20 0.49
▸ FAAH O00519 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ TLR9 Q9NR96 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ PTGS1 P23219 7/20 0.46

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
SCHEMBL30600492 0.79 MGLL (0.59) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL29066046 0.79 MGLL (0.59) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL5345848 0.78 MGLL (0.63) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL18891500 0.78 PTGS1 (0.58) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL8097410 0.77 MGLL (0.57) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL5361313 0.76 MGLL (0.61) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL17367597 0.75 MGLL (0.47) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL27962820 0.75 DUT (0.36) EPHX1
SCHEMBL21632664 0.75 MGLL (0.59) MGLLFAAHALDH1A1HPGDHSP90AA1
SCHEMBL21348323 0.75 MGLL (0.59) MGLLFAAHALDH1A1HPGDHSP90AA1

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
CN-107141348-B Long-acting exenatide (Exendin-4) analogue and application thereof 中国药科大学 2021-01-15 — — CN disclosed
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