SCHEMBL29630819

SCHEMBL29630819

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.47
▸ SLC6A2 P23975 1/20 0.45
▸ CAPN1 P07384 6/20 0.43
▸ CTSB P07858 1/20 0.42
▸ CALCRL Q16602 2/20 0.42
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PDCD1LG2 Q9BQ51 1/20 0.40
▸ CD274 Q9NZQ7 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
SCHEMBL29733250 0.93 CALCRL (0.47) XIAPSLC6A2CAPN1CALCRLSTAT3
SCHEMBL30441296 0.89 XIAP (0.52) XIAPSLC6A2CAPN1CTSBCALCRL
SCHEMBL29590865 0.88 XIAP (0.50) XIAPCALCRLCTSD
SCHEMBL31031582 0.87 XIAP (0.48) XIAPSLC6A2CAPN1CTSBCALCRL
SCHEMBL31182552 0.85 BACE1 (0.47) SLC6A2CAPN1CTSBCALCRLSTAT3
SCHEMBL29733288 0.85 CALCRL (0.51) XIAPSLC6A2CALCRLSTAT3CTSD
SCHEMBL30123263 0.84 SLC6A2 (0.52) XIAPSLC6A2CAPN1CTSBCALCRL
SCHEMBL30390685 0.84 XIAP (0.55) XIAPSLC6A2CAPN1CTSBCALCRL
SCHEMBL29630464 0.84 LMNA (0.43) XIAPSLC6A2F2F10PRSS1
SCHEMBL31655493 0.84 BACE1 (0.49) XIAPSLC6A2CAPN1CTSBCALCRL

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-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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