SCHEMBL30641716

SCHEMBL30641716

CC(C)(C)OC[C@H](NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.40
▸ NMBR P28336 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TLR2 O60603 2/20 0.37
▸ SIRT2 Q8IXJ6 4/20 0.36

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
SCHEMBL29475292 0.89 NMBR (0.40) NMBRSIRT2
SCHEMBL29427171 0.85 NMBR (0.48) NMBRMDM4TP53SIRT2
SCHEMBL29549611 0.85 SIRT2 (0.37) NMBRSIRT2
SCHEMBL29839944 0.84 NMBR (0.46) NMBRMDM4TP53SIRT2
SCHEMBL30065645 0.81 SIRT2 (0.40) NMBRSIRT2
SCHEMBL30384901 0.81 PTPN1 (0.48) PTPN1NMBRMDM4TP53SIRT2
SCHEMBL31536368 0.81 TLR2 (0.47) PTPN1MDM4TP53TLR2
SCHEMBL31094172 0.80 NMBR (0.38) NMBRSIRT2
SCHEMBL30385679 0.79 MDM4 (0.49) NMBRMDM4TP53SIRT2
SCHEMBL31506328 0.78 KMT2A (0.47) PTPN1MDM4TP53TLR2

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
CN-111018963-B Preparation method of glucagon 中肽生化有限公司 2023-11-24 — — CN disclosed
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