SCHEMBL19903796

SCHEMBL19903796

CC(C)(C)OC(=O)CCC(NC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.40
▸ AKT1 P31749 1/20 0.38
▸ TLR2 O60603 2/20 0.35
▸ TLR1 Q15399 2/20 0.35
▸ P2RY12 Q9H244 3/20 0.33
▸ GLP1R P43220 8/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15919167 1.00 PLK1 (0.40) PLK1AKT1TLR2TLR1P2RY12
SCHEMBL24175784 0.93 AKT1 (0.40) PLK1AKT1TLR2TLR1P2RY12
SCHEMBL16273727 0.88 AKT1 (0.41) PLK1AKT1P2RY12TDP1
SCHEMBL15919172 0.88 AKT1 (0.41) PLK1AKT1P2RY12TDP1
SCHEMBL31648515 0.86 MGLL (0.41) PLK1AKT1TLR2TLR1MGLL
SCHEMBL16329598 0.86 GLP1R (0.45) PLK1AKT1TLR2TLR1GLP1R
SCHEMBL19541913 0.86 GLP1R (0.45) PLK1AKT1TLR2TLR1GLP1R
SCHEMBL22025537 0.86 GLP1R (0.45) PLK1AKT1TLR2TLR1GLP1R
SCHEMBL16329597 0.86 GLP1R (0.45) PLK1AKT1TLR2TLR1GLP1R
SCHEMBL26445412 0.86 GLP1R (0.45) PLK1AKT1TLR2TLR1GLP1R

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
EP-2949665-B1 GLYCOSYLATION ATRIAL NATRIURETIC PEPTIDE DAIICHI SANKYO CO LTD (JP) 2018-02-28 — — EP disclosed
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