SCHEMBL28950438

SCHEMBL28950438

CC(C)(C)OC(=O)NC1CCCN(C(=O)OCc2ccccc2)C1CO

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 1/20 0.49
PDE4B Q07343 1/20 0.49
KLK7 P49862 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
PREP P48147 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ACE2 Q9BYF1 2/20 0.46
CTSK P43235 1/20 0.45
GFER P55789 1/20 0.45
CTSL P07711 1/20 0.45
CTRB1 P17538 1/20 0.45

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
SCHEMBL23971172 1.00 L3MBTL1 (0.49) L3MBTL1KMT2APDE4BKLK7NPSR1
SCHEMBL34466985 1.00 L3MBTL1 (0.49) L3MBTL1KMT2APDE4BKLK7NPSR1
SCHEMBL2185018 0.94 KMT2A (0.48) L3MBTL1KMT2APDE4BCTSL
SCHEMBL29061358 0.93 L3MBTL1 (0.48) L3MBTL1KMT2APDE4BKLK7NPSR1
SCHEMBL4104072 0.92 KMT2A (0.48) L3MBTL1KMT2APDE4BKLK7NPSR1
SCHEMBL23971170 0.91 PDE4B (0.49) L3MBTL1KMT2APDE4BKLK7NPSR1
SCHEMBL23971176 0.91 PDE4B (0.49) L3MBTL1KMT2APDE4BKLK7NPSR1
SCHEMBL3070355 0.89 PDE4B (0.49) L3MBTL1KMT2APDE4BKLK7NPSR1
SCHEMBL3070354 0.89 PDE4B (0.49) L3MBTL1KMT2APDE4BKLK7NPSR1
SCHEMBL29187943 0.89 PDE4B (0.49) L3MBTL1KMT2APDE4BKLK7NPSR1

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
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed