SCHEMBL29641778

SCHEMBL29641778

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.47
▸ CALCRL Q16602 5/20 0.46
▸ CMA1 P23946 1/20 0.44
▸ GRB2 P62993 1/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ ELANE P08246 3/20 0.43
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ FAP Q12884 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ STAT3 P40763 1/20 0.41

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
SCHEMBL30844353 0.93 CALCRL (0.46) XIAPCALCRLCMA1GRB2ELANE
SCHEMBL30844308 0.92 CMA1 (0.51) XIAPCALCRLCMA1GRB2ELANE
SCHEMBL30844271 0.92 CALCRL (0.48) XIAPCALCRLCMA1GRB2ELANE
SCHEMBL29733288 0.88 CALCRL (0.51) XIAPCALCRLCMA1SLC6A2STAT3
SCHEMBL23135343 0.88 XIAP (0.53) XIAPCALCRLGRB2SLC6A2ELANE
SCHEMBL23135342 0.88 XIAP (0.53) XIAPCALCRLGRB2SLC6A2ELANE
SCHEMBL30844288 0.88 F2 (0.49) CALCRLCMA1GRB2NTSR2NTSR1
SCHEMBL30844352 0.88 F2 (0.49) CALCRLCMA1GRB2NTSR2NTSR1
SCHEMBL30844246 0.88 F2 (0.49) CALCRLCMA1GRB2NTSR2NTSR1
SCHEMBL30844281 0.88 F2 (0.49) CALCRLCMA1GRB2NTSR2NTSR1

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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