SCHEMBL17553455

SCHEMBL17553455

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.55
▸ PTPN1 P18031 5/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MDM2 Q00987 1/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL21633436 0.92 TLR2 (0.55) TLR2KMT2AMDM2CASP3
SCHEMBL30175789 0.91 TLR2 (0.54) TLR2KMT2AMDM2CASP3
SCHEMBL19423735 0.91 TLR2 (0.59) TLR2PTPN1KMT2A
SCHEMBL19423731 0.91 TLR2 (0.58) TLR2KMT2AMDM2
SCHEMBL29385146 0.91 TLR2 (0.58) TLR2KMT2AMDM2
SCHEMBL13452073 0.91 TLR2 (0.58) TLR2KMT2AMDM2
Hydrochloric Acid SCHEMBL29784769 0.90 TLR2 (0.59) TLR2KMT2AMDM2
SCHEMBL13957875 0.85 TLR2 (0.60) TLR2KMT2AMDM2CASP3
SCHEMBL30586942 0.85 CASP3 (0.54) TLR2MDM2CASP3
SCHEMBL23627443 0.85 PTPN1 (0.47) TLR2PTPN1KMT2ACASP3

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-2016029324-A1 AZASULFURYLPEPTIDE-BASED CD36 MODULATORS AND USES THEREOF RSEM, LIMITED PARTNERSHIP (CA) 2016-03-03 — — WO disclosed
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