Sugi Predict

Sugi Predict / Compounds / SCHEMBL30082002

SCHEMBL30082002

SCHEMBL30082002

CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.43
▸ BACE1 P56817 15/20 0.43
▸ BACE2 Q9Y5Z0 2/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ CTSD P07339 2/20 0.41
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ FOLH1 Q04609 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
SCHEMBL29833409 0.99 ERAP2 (0.44) ERAP2BACE1BACE2PTPN1CTSD
SCHEMBL7599777 0.96 ERAP2 (0.44) ERAP2BACE1BACE2PTPN1CTSD
SCHEMBL7599791 0.96 ERAP2 (0.44) ERAP2BACE1BACE2PTPN1CTSD
SCHEMBL29833296 0.95 PTPN1 (0.46) ERAP2BACE1BACE2PTPN1CTSD
SCHEMBL30974137 0.94 BACE1 (0.49) ERAP2BACE1BACE2PTPN1CTSD
SCHEMBL31354582 0.94 PTPN1 (0.44) ERAP2BACE1BACE2PTPN1CTSD
SCHEMBL30688995 0.93 BACE1 (0.45) ERAP2BACE1BACE2PTPN1CTSD
SCHEMBL29367110 0.93 NPY1R (0.40) NPY1RNPY2RNPY4R
SCHEMBL29367112 0.93 NPY1R (0.40) NPY1RNPY2RNPY4R
SCHEMBL30167454 0.92 ERAP2 (0.45) ERAP2BACE1BACE2PTPN1CTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11788111-B2 Compositions and methods for making selenocysteine containing polypeptides YALE UNIVERSITY (US) 2023-10-17 — — US disclosed
US-11753661-B2 Process for the biological production of methacrylic acid and derivatives thereof Mitsubishi Chemical UK Limited (GB) 2023-09-12 — — US disclosed
US-20220372527-A1 PROCESS FOR THE BIOLOGICAL PRODUCTION OF METHACRYLIC ACID AND DERIVATIVES THEREOF Mitsubishi Chemical UK Limited (GB) 2022-11-24 — — US disclosed