SCHEMBL29630553

SCHEMBL29630553

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.45
▸ XIAP P98170 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ REN P00797 3/20 0.41
▸ ELANE P08246 1/20 0.39
▸ ACE P12821 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PEPD P12955 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30708106 0.87 CAPN1 (0.45) CAPN1XIAPCTSBRENACE
SCHEMBL17066658 0.87 OPRM1 (0.46) CAPN1XIAPOPRM1
SCHEMBL31547784 0.84 REN (0.50) RENACEKDM4EF2LMNA
SCHEMBL21581704 0.84 FKBP5 (0.44) CAPN1XIAPCTSBF2OPRM1
SCHEMBL29630574 0.84 CAPN1 (0.49) CAPN1XIAPCTSB
SCHEMBL29541526 0.83 ITGB3 (0.40) CAPN1CTSBRENACEF2
SCHEMBL29394895 0.83 CAPN1 (0.49) CAPN1XIAPCTSBRENACE
SCHEMBL29802182 0.82 OPRM1 (0.44) ACEOPRM1
SCHEMBL31410849 0.81 CAPN1 (0.45) CAPN1XIAPCTSBRENACE
SCHEMBL12272846 0.80 XIAP (0.44) XIAPRENACEKDM4EF2

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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