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Sugi Predict / Compounds / SCHEMBL16726198

SCHEMBL16726198

SCHEMBL16726198

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.52
▸ PTPN1 P18031 4/20 0.51
▸ KMT2A Q03164 1/20 0.48
▸ MDM2 Q00987 5/20 0.46
▸ ACE P12821 1/20 0.46
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ FOLH1 Q04609 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
SCHEMBL30586724 0.95 TLR2 (0.55) TLR2PTPN1KMT2AMDM2ACE
SCHEMBL18103156 0.95 TLR2 (0.55) TLR2PTPN1KMT2AMDM2ACE
SCHEMBL31212512 0.91 TLR2 (0.59) TLR2PTPN1KMT2AMDM2ACE
SCHEMBL30099539 0.90 PTPN1 (0.57) TLR2PTPN1KMT2AACE
SCHEMBL12658035 0.88 PTPN1 (0.58) TLR2PTPN1KMT2AMDM2MDM4
SCHEMBL29602166 0.87 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29514436 0.87 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29466503 0.87 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL3624369 0.87 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29865029 0.87 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53

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-2015073575-A2 RESIDUALIZING LINKERS AND USES THEREOF CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION (CA) 2015-05-21 — — WO disclosed
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