SCHEMBL16790428

SCHEMBL16790428

NC(=O)C(N)CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.37
▸ MGLL Q99685 1/20 0.35
▸ PLK1 P53350 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ EPOR P19235 2/20 0.33
▸ CA2 P00918 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL13889280 0.89 GLP1R (0.39) GLP1RMGLLPLK1POLBHSD17B10
SCHEMBL16507765 0.88 GLP1R (0.35) GLP1RMGLLPLK1POLBHSD17B10
SCHEMBL13783676 0.88 GLP1R (0.36) GLP1RMGLLPLK1POLBHSD17B10
SCHEMBL12056276 0.88 PTGS1 (0.37) MGLLPOLBHSD17B10HPGDHTT
SCHEMBL13686095 0.88 PTGS1 (0.37) MGLLPOLBHSD17B10HPGDHTT
SCHEMBL14423083 0.88 GLP1R (0.38) GLP1RMGLLPOLBHSD17B10EPOR
SCHEMBL13783677 0.87 GLP1R (0.41) GLP1RMGLLPOLBHSD17B10EPOR
SCHEMBL13713768 0.87 GLP1R (0.37) GLP1RMGLLPLK1POLBHSD17B10
SCHEMBL13287787 0.87 GLP1R (0.37) GLP1RMGLLPLK1POLBHSD17B10
SCHEMBL10054212 0.86 GLP1R (0.39) GLP1RMGLLPOLBHSD17B10EPOR

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
WO-2015081891-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-06-11 — — WO disclosed
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