SCHEMBL28779687

SCHEMBL28779687

CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.62
STS P08842 1/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
ACKR3 P25106 1/20 0.49
HTR6 P50406 3/20 0.49
BCHE P06276 2/20 0.49
FABP6 P51161 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
KDM1A O60341 1/20 0.47
LMNA P02545 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL22222650 1.00 USP30 (0.62) USP30STSJAK2JAK1GPR119
SCHEMBL28779720 0.97 USP30 (0.58) USP30STSJAK2JAK1GPR119
SCHEMBL28779718 0.97 USP30 (0.58) USP30STSJAK2JAK1GPR119
SCHEMBL29043109 0.93 USP30 (0.56) USP30STSJAK2JAK1GPR119
SCHEMBL696779 0.93 USP30 (0.56) USP30STSJAK2JAK1GPR119
SCHEMBL696778 0.93 USP30 (0.56) USP30STSJAK2JAK1GPR119
SCHEMBL20267975 0.91 STS (0.55) USP30STSJAK2JAK1GPR119
SCHEMBL4171022 0.91 STS (0.55) USP30STSJAK2JAK1GPR119
SCHEMBL13434283 0.89 HTT (0.51) USP30STSBCHEACHE
SCHEMBL17605512 0.89 USP30 (0.50) USP30GPR119BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115896050-B 7 Alpha-hydroxysteroid dehydrogenase terminal modification combining point mutation and efficient synthesis of ursodeoxycholic acid intermediate 江南大学 2025-06-24 CN disclosed
CN-114717211-B Imine reductase mutant M5 and application thereof in synthesis of nitrogen heterocycle chiral amine 江苏集萃分子工程研究院有限公司 2023-06-02 CN disclosed
CN-115896050-A End transformation combined point mutation of 7 alpha-hydroxysteroid dehydrogenase and efficient synthesis of ursodeoxycholic acid intermediate 江南大学 2023-04-04 CN disclosed
CN-114717211-A Imine reductase mutant M5 and application thereof in synthesis of azacyclo chiral amine 江苏集萃分子工程研究院有限公司 2022-07-08 CN disclosed