SCHEMBL22636827

SCHEMBL22636827

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.57
▸ TNF P01375 3/20 0.55
▸ SLC17A5 Q9NRA2 1/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ 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
SCHEMBL18689466 1.00 TLR2 (0.57) TLR2TNFSLC17A5KMT2AMDM4
SCHEMBL22636828 1.00 TLR2 (0.57) TLR2TNFSLC17A5KMT2AMDM4
SCHEMBL18708299 1.00 TLR2 (0.57) TLR2TNFSLC17A5KMT2AMDM4
SCHEMBL22636832 1.00 TLR2 (0.57) TLR2TNFSLC17A5KMT2AMDM4
SCHEMBL22636830 1.00 TLR2 (0.57) TLR2TNFSLC17A5KMT2AMDM4
SCHEMBL18689465 1.00 TLR2 (0.57) TLR2TNFSLC17A5KMT2AMDM4
SCHEMBL27252657 0.93 TLR2 (0.49) TLR2TNFSLC17A5KMT2A
SCHEMBL31682400 0.93 SLC17A5 (0.53) TLR2TNFSLC17A5MDM4TP53
SCHEMBL20547534 0.91 TNF (0.48) TLR2TNFSLC17A5KMT2AMDM4
SCHEMBL10073558 0.90 TLR2 (0.59) TLR2TNFSLC17A5KMT2AMDM4

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-2020225781-A1 PEPTIDE CONJUGATE AMYLIN AGONISTS AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2020-11-12 — — WO disclosed
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