SCHEMBL23447164

SCHEMBL23447164

CCOCCOCCNC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.52
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL16048760 0.94 TLR2 (0.51) TLR2MDM4TP53MDM2BCHE
SCHEMBL16048758 0.94 TLR2 (0.51) TLR2MDM4TP53MDM2BCHE
SCHEMBL30771460 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL30771499 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL31296168 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL30771405 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL27153081 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL20448250 0.92 TLR2 (0.51) TLR2MDM4TP53MDM2BCHE
SCHEMBL31267179 0.92 TLR2 (0.51) TLR2MDM4TP53MDM2BCHE
SCHEMBL16539038 0.92 TLR2 (0.51) TLR2MDM4TP53MDM2BCHE

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-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 — — WO disclosed
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