SCHEMBL29648240

SCHEMBL29648240

CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ TFPI P10646 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ BACE1 P56817 4/20 0.39
▸ GNPAT O15228 1/20 0.39
▸ CTSD P07339 2/20 0.39
▸ VIPR1 P32241 1/20 0.38
▸ ENPEP Q07075 5/20 0.38
▸ GLP1R P43220 1/20 0.38
▸ GCGR P47871 1/20 0.38
▸ GIPR P48546 1/20 0.38

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
SCHEMBL31013467 0.91 SIRT2 (0.43) EPHA2SIRT2SIRT5TFPIBACE1
SCHEMBL31013475 0.91 SIRT2 (0.43) EPHA2SIRT2SIRT5TFPIBACE1
SCHEMBL29658771 0.90 SIRT2 (0.44) EPHA2SIRT2SIRT5VIPR1GLP1R
SCHEMBL24451291 0.90 SIRT2 (0.44) EPHA2SIRT2SIRT5VIPR1GLP1R
SCHEMBL29604474 0.90 ENPEP (0.44) GNPATENPEP
SCHEMBL31031511 0.88 SIRT2 (0.43) SIRT2SIRT5VIPR1
SCHEMBL29455717 0.88 ENPEP (0.40) SIRT5BACE1GNPATCTSDENPEP
SCHEMBL29777415 0.87 GNPAT (0.49) SIRT5GNPATENPEP
SCHEMBL31121647 0.87 GNPAT (0.49) SIRT5GNPATENPEP
SCHEMBL29374977 0.87 NPY4R (0.41) BACE1CTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030437-A1 FUNCTIONALIZED AND CROSSLINKED POLYMER METHODS AND COMPOSITIONS PMIDG, LLC (US) 2024-02-08 — — WO disclosed
WO-2022120097-A1 FUNCTIONALIZED AND CROSSLINKED POLYMERS PMIDG, LLC (US) 2022-06-09 — — WO disclosed
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