SCHEMBL29907904

SCHEMBL29907904

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.55
▸ TLR2 O60603 4/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MDM2 Q00987 1/20 0.49
▸ TNF P01375 2/20 0.48
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL7713440 0.89 TLR2 (0.57) CASP3TLR2KMT2AMDM2TNF
SCHEMBL30434908 0.89 TLR2 (0.57) CASP3TLR2KMT2AMDM2TNF
SCHEMBL31091386 0.89 TLR2 (0.51) CASP3TLR2KMT2ATNFMDM4
SCHEMBL30988972 0.89 CASP3 (0.59) CASP3KMT2AMDM2MDM4TP53
SCHEMBL29401049 0.89 CASP3 (0.60) CASP3KMT2AMDM2MDM4TP53
SCHEMBL5452734 0.88 CASP3 (0.56) CASP3TLR2KMT2AMDM2
SCHEMBL16327986 0.88 TLR2 (0.59) TLR2MDM2TNF
SCHEMBL30229906 0.88 TLR2 (0.51) CASP3TLR2KMT2ATNFMDM4
SCHEMBL13163900 0.86 CASP3 (0.61) CASP3KMT2AMDM2MDM4TP53
SCHEMBL28641187 0.86 CASP3 (0.61) CASP3KMT2AMDM2MDM4TP53

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-2022186782-A1 METHODS FOR CYCLIZATION OF (POLY)PEPTIDES COMPRISING Nγ-HYDROXY- OR Nγ-AMINO-L-ASPARAGINE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-09-09 — — WO disclosed
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