SCHEMBL31348950

SCHEMBL31348950

CCCCCCCCNC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.52
KMT2A Q03164 1/20 0.52
SIRT2 Q8IXJ6 10/20 0.50
SIRT1 Q96EB6 5/20 0.50
SIRT3 Q9NTG7 4/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL31348933 1.00 TLR2 (0.52) TLR2KMT2ASIRT2SIRT1SIRT3
SCHEMBL731376 0.90 TLR2 (0.60) TLR2KMT2A
SCHEMBL752372 0.90 TLR2 (0.60) TLR2KMT2A
SCHEMBL13811918 0.90 TLR2 (0.60) TLR2KMT2A
SCHEMBL9932972 0.90 SIRT2 (0.61) TLR2KMT2ASIRT2SIRT1SIRT3
SCHEMBL9932973 0.90 SIRT2 (0.61) TLR2KMT2ASIRT2SIRT1SIRT3
SCHEMBL3795594 0.88 KMT2A (0.56) TLR2KMT2ASIRT2
SCHEMBL3792460 0.88 KMT2A (0.56) TLR2KMT2ASIRT2
SCHEMBL3795683 0.88 KMT2A (0.56) TLR2KMT2ASIRT2
SCHEMBL3795988 0.87 TLR2 (0.53) TLR2KMT2ASIRT2

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-2025005639-A1 CATIONIC AMPHIPHILIC POLYPEPTIDE FOR RNA DELIVERY AND MANUFACTURING METHOD THEREOF 인하대학교 산학협력단 2025-01-02 WO disclosed