SCHEMBL29641846

SCHEMBL29641846

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.51
▸ ACE P12821 4/20 0.50
▸ REN P00797 2/20 0.50
▸ XIAP P98170 1/20 0.48
▸ CMA1 P23946 1/20 0.46
▸ CAPN1 P07384 5/20 0.44
▸ CTSB P07858 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ XPNPEP2 O43895 1/20 0.40

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
SCHEMBL29350341 0.96 ACE (0.54) GRB2ACERENXIAPCMA1
SCHEMBL29482768 0.96 ACE (0.54) GRB2ACERENXIAPCMA1
SCHEMBL29641635 0.92 GRB2 (0.60) GRB2ACERENXIAPCMA1
SCHEMBL29974998 0.88 ACE (0.49) GRB2ACERENXIAPCMA1
SCHEMBL30455247 0.88 CAPN1 (0.52) GRB2XIAPCAPN1CTSBSLC6A2
SCHEMBL29396765 0.88 CAPN1 (0.52) GRB2XIAPCAPN1CTSBSLC6A2
SCHEMBL29427846 0.87 ACE (0.62) ACERENXIAPCMA1
SCHEMBL30397733 0.85 XIAP (0.55) GRB2ACERENXIAPSLC6A2
SCHEMBL29641611 0.85 DPP4 (0.55) GRB2ACERENXIAPCMA1
SCHEMBL31218906 0.85 GRB2 (0.51) GRB2ACERENXIAPCMA1

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
US-20220409709-A1 LABYRINTHIN-BASED PEPTIDES FOR CANCER IMMUNOTHERAPIES AND USES THEREOF LABYRX IMMUNOLOGIC THERAPEUTICS USA LTD (US) 2022-12-29 — — US disclosed
US-20220089719-A1 CONSTRUCTS TARGETING LABYRINTHIN OR A PORTION THEREOF AND USES THEREOF LABYRX IMMUNOLOGIC THERAPEUTICS (USA) LIMITED (US) 2022-03-24 — — US disclosed
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