SCHEMBL29630615

SCHEMBL29630615

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ XIAP P98170 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ CAPN1 P07384 6/20 0.47
▸ CTSB P07858 1/20 0.46
▸ RAMP1 O60894 1/20 0.43
▸ REN P00797 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CMA1 P23946 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
SCHEMBL29591478 0.94 CAPN1 (0.50) CALCRLOPRM1XIAPSLC6A2CAPN1
SCHEMBL29630668 0.93 CAPN1 (0.51) CALCRLOPRM1XIAPSLC6A2CAPN1
SCHEMBL29630466 0.92 XIAP (0.47) CALCRLOPRM1XIAPSLC6A2CAPN1
SCHEMBL29592734 0.90 CAPN1 (0.55) CALCRLOPRM1XIAPSLC6A2CAPN1
SCHEMBL29590602 0.90 CAPN1 (0.51) CALCRLOPRM1XIAPSLC6A2CAPN1
SCHEMBL30185028 0.88 CAPN1 (0.47) CALCRLXIAPSLC6A2CAPN1CTSB
SCHEMBL31198203 0.88 OPRM1 (0.56) OPRM1XIAPSLC6A2CAPN1CTSB
SCHEMBL29404832 0.87 SLC6A2 (0.48) CALCRLXIAPSLC6A2CAPN1RAMP1
SCHEMBL31316156 0.86 CALCRL (0.58) CALCRLXIAPSLC6A2CAPN1CTSB
SCHEMBL29630325 0.86 XIAP (0.50) CALCRLOPRM1XIAPSLC6A2CAPN1

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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