SCHEMBL28629670

SCHEMBL28629670

CC(C)(C)OC(=O)N1CCC(=O)C[C@]1(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
STS P08842 1/20 0.39
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
USP30 Q70CQ3 1/20 0.37
ACHE P22303 1/20 0.37
GPR119 Q8TDV5 2/20 0.37

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
SCHEMBL28923042 1.00 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL6364579 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL387446 0.83
SCHEMBL194209 0.83
SCHEMBL28941207 0.82 STS (0.40) JAK2JAK1STSOPRD1OPRK1
SCHEMBL28625824 0.82
SCHEMBL28632434 0.79 STS (0.42) PDE4APDE4BPDE4CPDE4DJAK2
SCHEMBL30882363 0.79 JAK2 (0.39) JAK2JAK1STSUSP30GPR119
SCHEMBL11953974 0.77
SCHEMBL968202 0.77 STS (0.39) PDE4APDE4BPDE4CPDE4DSTS

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-113395996-B Arginase inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2024-05-28 CN disclosed
CN-114599372-A Combination therapy for the treatment of cancer 阿斯利康(瑞典)有限公司 2022-06-07 CN disclosed
CN-113395996-A Arginase inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-09-14 CN disclosed