SCHEMBL752372

SCHEMBL752372

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.60
KMT2A Q03164 1/20 0.56
TNF P01375 2/20 0.53
MDM4 O15151 1/20 0.49
TP53 P04637 1/20 0.49
CASP3 P42574 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
SCHEMBL731376 1.00 TLR2 (0.60) TLR2KMT2ATNFMDM4TP53
SCHEMBL13811918 1.00 TLR2 (0.60) TLR2KMT2ATNFMDM4TP53
SCHEMBL3792460 0.92 KMT2A (0.56) TLR2KMT2ATNF
SCHEMBL3795683 0.92 KMT2A (0.56) TLR2KMT2ATNF
SCHEMBL3795594 0.92 KMT2A (0.56) TLR2KMT2ATNF
SCHEMBL3795988 0.91 TLR2 (0.53) TLR2KMT2ATNF
SCHEMBL753167 0.90 KMT2A (0.54) TLR2KMT2ATNFCASP3
SCHEMBL13660232 0.90 KMT2A (0.54) TLR2KMT2ATNFCASP3
SCHEMBL31348933 0.90 TLR2 (0.52) TLR2KMT2A
SCHEMBL31348950 0.90 TLR2 (0.52) TLR2KMT2A

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-8138140-B2 Self-assembling peptide amphiphiles and related methods for growth factor delivery NORTHWESTERN UNIVERSITY (US) 2012-03-20 US disclosed