SCHEMBL10073558

SCHEMBL10073558

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.59
▸ SLC17A5 Q9NRA2 1/20 0.53
▸ TNF P01375 2/20 0.52
▸ MDM4 O15151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CASP3 P42574 1/20 0.48
▸ MDM2 Q00987 2/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL8111105 1.00 TLR2 (0.59) TLR2SLC17A5TNFMDM4TP53
SCHEMBL7763897 0.96 TLR2 (0.55) TLR2SLC17A5TNFMDM4TP53
SCHEMBL4719374 0.96 TLR2 (0.56) TLR2SLC17A5TNFMDM4TP53
SCHEMBL16801655 0.91 SLC17A5 (0.54) TLR2SLC17A5MDM4TP53CASP3
SCHEMBL20780206 0.90 TLR2 (0.53) TLR2SLC17A5TNFMDM4TP53
SCHEMBL22636832 0.90 TLR2 (0.57) TLR2SLC17A5TNFMDM4TP53
SCHEMBL22636830 0.90 TLR2 (0.57) TLR2SLC17A5TNFMDM4TP53
SCHEMBL18689466 0.90 TLR2 (0.57) TLR2SLC17A5TNFMDM4TP53
SCHEMBL22636827 0.90 TLR2 (0.57) TLR2SLC17A5TNFMDM4TP53
SCHEMBL18689465 0.90 TLR2 (0.57) TLR2SLC17A5TNFMDM4TP53

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-2012051663-A1 ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2012-04-26 — — WO disclosed
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