SCHEMBL29630482

SCHEMBL29630482

CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ XIAP P98170 1/20 0.45
▸ CAPN1 P07384 4/20 0.44
▸ REN P00797 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ NTSR2 O95665 3/20 0.42
▸ NTSR1 P30989 3/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ GRB2 P62993 1/20 0.42

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
SCHEMBL5065494 0.93 XIAP (0.48) SLC6A2XIAPCAPN1RENNTSR2
SCHEMBL5065490 0.93 XIAP (0.48) SLC6A2XIAPCAPN1RENNTSR2
SCHEMBL29883844 0.91 OPRM1 (0.50) OPRM1SLC6A2XIAPCAPN1REN
SCHEMBL29351166 0.90 KMT2A (0.51) SLC6A2XIAPCAPN1KMT2ANTSR2
SCHEMBL31083914 0.89 ACE (0.56) RENACEKMT2A
SCHEMBL30586507 0.89 SLC6A2 (0.57) OPRM1SLC6A2XIAPRENCMA1
SCHEMBL3857343 0.88 CAPN1 (0.51) SLC6A2CAPN1RENKMT2ANTSR2
SCHEMBL3857337 0.88 CAPN1 (0.51) SLC6A2CAPN1RENKMT2ANTSR2
SCHEMBL29592298 0.88 KEAP1 (0.46) OPRM1SLC6A2CAPN1RENACE
SCHEMBL32681284 0.88 CAPN1 (0.53) OPRM1SLC6A2XIAPCAPN1REN

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
Send feedback