SCHEMBL29641613

SCHEMBL29641613

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.51
▸ CALCRL Q16602 4/20 0.49
▸ RAMP1 O60894 1/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ RAMP3 O60896 7/20 0.44
▸ CALCR P30988 7/20 0.44
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ F2 P00734 1/20 0.42

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
SCHEMBL29641591 0.89 KEAP1 (0.49) KEAP1CALCRLPTPN1RAMP3CALCR
SCHEMBL29827592 0.84 RAMP3 (0.53) KEAP1PTPN1RAMP3CALCR
SCHEMBL29827555 0.83 KEAP1 (0.52) KEAP1PTPN1RAMP3CALCR
SCHEMBL9058995 0.83 RAMP3 (0.56) KEAP1CALCRLRAMP3CALCR
SCHEMBL9058997 0.83 RAMP3 (0.56) KEAP1CALCRLRAMP3CALCR
SCHEMBL30495783 0.82 EP300 (0.48) KEAP1CALCRLRAMP3CALCR
SCHEMBL30242243 0.82 CXCR4 (0.53) KEAP1RAMP3CALCROPRM1OPRD1
SCHEMBL30906410 0.82 CALCRL (0.48) KEAP1CALCRLRAMP3CALCR
SCHEMBL31031606 0.81 KEAP1 (0.43) KEAP1CALCRLRAMP1OPRM1OPRD1
SCHEMBL31151696 0.81 F2 (0.46) KEAP1RAMP3CALCROPRM1OPRD1

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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