Sugi Predict

Sugi Predict / Compounds / SCHEMBL8053737

SCHEMBL8053737

SCHEMBL8053737

CNCC(N)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.41
▸ PTPN1 P18031 8/20 0.41
▸ TLR2 O60603 4/20 0.39
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL12982353 0.85 PTPN1 (0.40) GRB2PTPN1TLR2MDM4TP53
SCHEMBL30817670 0.85 PTPN1 (0.40) GRB2PTPN1TLR2MDM4TP53
SCHEMBL19243987 0.85 GRB2 (0.38) GRB2PTPN1TLR2MDM4TP53
SCHEMBL31591666 0.76 KMT2A (0.48) PTPN1TLR2MDM4TP53
SCHEMBL31292141 0.73 MDM4 (0.45) TLR2MDM4TP53
SCHEMBL30097312 0.73 MDM4 (0.45) TLR2MDM4TP53
SCHEMBL30025559 0.73 MDM4 (0.45) TLR2MDM4TP53
SCHEMBL29511122 0.73 MDM4 (0.45) TLR2MDM4TP53
SCHEMBL20732314 0.73 MDM4 (0.45) TLR2MDM4TP53
SCHEMBL16412291 0.73 MDM4 (0.45) TLR2MDM4TP53

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-2009083549-A1 SEMI-RECOMBINANT PREPARATION OF GLP-1 ANALOGUES NOVO NORDISK A/S (DK) 2009-07-09 — — WO disclosed
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