SCHEMBL20193256

SCHEMBL20193256

COCC(=O)NCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 5/20 0.47
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MDM2 Q00987 1/20 0.39
▸ TLR1 Q15399 1/20 0.38

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
SCHEMBL12807240 0.94 TLR2 (0.47) TLR2MDM4TP53MDM2TLR1
SCHEMBL16538935 0.93 TLR2 (0.49) TLR2MDM4TP53MDM2TLR1
SCHEMBL27153081 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL30771499 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL31296168 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL30771460 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL30771405 0.93 TLR2 (0.50) TLR2MDM4TP53MDM2
SCHEMBL15147181 0.92 TLR2 (0.46) TLR2MDM4TP53MDM2TLR1
SCHEMBL25446060 0.91 TLR2 (0.48) TLR2MDM4TP53MDM2
SCHEMBL31267179 0.91 TLR2 (0.51) TLR2MDM4TP53MDM2TLR1

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
US-9982017-B2 Synthetic apelin mimetics for the treatment of heart failure NOVARTIS AG (CH) 2018-05-29 — — US disclosed
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