SCHEMBL29641660

SCHEMBL29641660

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.44
▸ XIAP P98170 1/20 0.44
▸ CAPN1 P07384 4/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ EPHA2 P29317 2/20 0.43
▸ NMUR2 Q9GZQ4 1/20 0.41
▸ CTSD P07339 2/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ GRB2 P62993 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ CMA1 P23946 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
SCHEMBL29641620 0.92 KDM1A (0.45) CALCRLXIAPCAPN1EPHA2NMUR2
SCHEMBL30495673 0.87 BACE1 (0.49) CALCRLCAPN1CTSDBACE1KDM1A
SCHEMBL30532203 0.86 CALCRL (0.45) CALCRLXIAPCAPN1CTSDBACE1
SCHEMBL30150556 0.86 BACE1 (0.49) CALCRLXIAPOPRM1CTSDBACE1
SCHEMBL30150576 0.85 CALCRL (0.47) CALCRLXIAPCAPN1OPRM1EPHA2
SCHEMBL30150591 0.85 BACE1 (0.51) CALCRLXIAPCTSDBACE1GRB2
SCHEMBL30495654 0.85 CALCRL (0.52) CALCRLXIAPEPHA2CTSDBACE1
SCHEMBL29641722 0.85 GRB2 (0.48) CALCRLXIAPCAPN1NMUR2CTSB
SCHEMBL30311207 0.83 XIAP (0.53) CALCRLXIAPCAPN1GRB2CMA1
SCHEMBL29641583 0.83 XIAP (0.59) XIAPOPRM1

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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