SCHEMBL28638548

SCHEMBL28638548

CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
GPR119 Q8TDV5 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 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
SCHEMBL8923491 0.88 STS (0.43) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL8923498 0.88 STS (0.43) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL28632434 0.86 STS (0.42) STSPDE4APDE4BPDE4CPDE4D
SCHEMBL30882363 0.79 JAK2 (0.39) STSGPR119JAK2JAK1
SCHEMBL194209 0.79
SCHEMBL387446 0.79
SCHEMBL28566941 0.79 STS (0.38) STSNR1H2NR1H3GPR119JAK2
SCHEMBL3547375 0.78
SCHEMBL2819757 0.78
SCHEMBL28625824 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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