SCHEMBL29641586

SCHEMBL29641586

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.49
▸ CTSL P07711 3/20 0.46
▸ CTSS P25774 3/20 0.46
▸ CTSK P43235 3/20 0.46
▸ CTSH P09668 1/20 0.46
▸ LNPEP Q9UIQ6 3/20 0.44
▸ ANPEP P15144 1/20 0.44
▸ DPP3 Q9NY33 1/20 0.41
▸ F2 P00734 4/20 0.41
▸ CXCL8 P10145 5/20 0.41
▸ APLNR P35414 1/20 0.40
▸ RAMP3 O60896 2/20 0.40
▸ CALCR P30988 2/20 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
SCHEMBL29415476 0.84 F2 (0.47) GRB2CTSLCTSSCTSKCTSH
SCHEMBL31152909 0.83 C5AR1 (0.50) CTSLCTSSCTSKCTSHF2
SCHEMBL30853586 0.83 SLC6A2 (0.52) CTSLCTSSCTSKCTSHLNPEP
SCHEMBL29592537 0.83 SLC6A2 (0.47) —
SCHEMBL29591934 0.83 GRB2 (0.43) GRB2CTSLCTSSCTSKCTSH
SCHEMBL29590728 0.82 CAPN1 (0.48) GRB2LNPEPANPEPDPP3F2
SCHEMBL29463614 0.81 CAPN1 (0.48) F2APLNRRAMP3CALCR
SCHEMBL29641566 0.81 OPRM1 (0.43) F2
SCHEMBL29589034 0.81 TRHR (0.48) LNPEPDPP3
SCHEMBL29591887 0.81 REN (0.47) LNPEPANPEP

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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