SCHEMBL30267405

SCHEMBL30267405

COc1ccc(C(=O)N2CCC(CCCOC(N)=O)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MLKL Q8NB16 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ TLR7 Q9NYK1 3/20 0.39
▸ TLR8 Q9NR97 2/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL30864068 0.89 AKR1C3 (0.43) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31586097 0.89 AKR1C3 (0.41) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31255497 0.88 PRSS1 (0.44) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31586520 0.87 HDAC3 (0.40) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31586917 0.87 NR3C1 (0.42) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31586256 0.86 NR3C1 (0.40) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31586935 0.85 NR3C1 (0.41) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31586070 0.85 NR3C1 (0.43) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL25581203 0.85 NR3C1 (0.43) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL29201735 0.84 NR3C1 (0.41) SOS1NR3C1PGRSLC6A4KCNH2

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
WO-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 — — WO disclosed
Send feedback