SCHEMBL24709082

SCHEMBL24709082

COc1cc(OC)c(CSC(=O)CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 7/20 0.53
▸ TLR2 O60603 2/20 0.48
▸ MDM4 O15151 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ SLC17A5 Q9NRA2 1/20 0.45
▸ TNF P01375 3/20 0.43
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL26195497 1.00 MDM2 (0.53) MDM2TLR2MDM4TP53SLC17A5
SCHEMBL26195496 0.91 MDM2 (0.50) MDM2TLR2MDM4TP53SLC17A5
SCHEMBL10417439 0.85 TLR2 (0.55) MDM2TLR2MDM4TP53SLC17A5
SCHEMBL30863678 0.85 TLR2 (0.55) MDM2TLR2MDM4TP53SLC17A5
SCHEMBL31619571 0.80 MDM2 (0.49) MDM2TLR2MDM4TP53SLC17A5
SCHEMBL30863677 0.80 MDM2 (0.49) MDM2TLR2MDM4TP53TNF
SCHEMBL10418082 0.80 MDM2 (0.49) MDM2TLR2MDM4TP53TNF
SCHEMBL13227673 0.78 TLR2 (0.57) MDM2TLR2MDM4TP53SLC17A5
SCHEMBL29401420 0.78 TLR2 (0.57) MDM2TLR2MDM4TP53SLC17A5
SCHEMBL21597893 0.78 TLR2 (0.57) MDM2TLR2MDM4TP53SLC17A5

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-2022261257-A1 STAPLED PEPTIDES AND METHODS THEREOF FOG PHARMACEUTICALS, INC. (US) 2022-12-15 — — WO disclosed
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