SCHEMBL31398320

SCHEMBL31398320

CCCCCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.66
MDM2 Q00987 6/20 0.58
TNF P01375 2/20 0.56
MDM4 O15151 1/20 0.54
TP53 P04637 1/20 0.54
CASP3 P42574 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52

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
SCHEMBL29445595 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL29445602 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL16744149 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL17749229 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL15083321 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL20357051 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL16744148 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL16744151 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL18614182 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL29615002 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53

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-2025070720-A1 PEPTIDE ペプチドリーム株式会社 2025-04-03 WO disclosed