SCHEMBL29263229

SCHEMBL29263229

Cc1c(O)cc(O)c(C(=O)N2Cc3ccc(CN4CCN(CCOCCNC(=O)OC(C)(C)C)CC4)cc3C2)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
HSP90B1 P14625 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
NAMPT P43490 1/20 0.37
DRD2 P14416 2/20 0.36
P4HB P07237 1/20 0.36
BCHE P06276 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CNR2 P34972 1/20 0.36
FAAH O00519 1/20 0.36
ACHE P22303 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL30462412 0.99 SIGMAR1 (0.42) SIGMAR1HSP90AA1HSP90AB1HSP90B1SUCNR1
SCHEMBL30462403 0.99 SIGMAR1 (0.42) SIGMAR1HSP90AA1HSP90AB1HSP90B1SUCNR1
SCHEMBL25234560 0.92 HSP90AA1 (0.44) SIGMAR1HSP90AA1HSP90AB1HSP90B1BCHE
SCHEMBL25511637 0.86 HSP90AA1 (0.45) SIGMAR1HSP90AA1HSP90AB1HSP90B1MAOA
SCHEMBL25511806 0.86 HSP90AA1 (0.45) SIGMAR1HSP90AA1HSP90AB1HSP90B1MAOA
Hydrochloric Acid SCHEMBL30462425 0.85 HSP90AA1 (0.44) SIGMAR1HSP90AA1HSP90AB1HSP90B1MAOA
Hydrochloric Acid SCHEMBL25229510 0.85 HSP90AA1 (0.44) SIGMAR1HSP90AA1HSP90AB1HSP90B1MAOA
SCHEMBL30958009 0.84 SUCNR1 (0.38) SIGMAR1SUCNR1NAMPTDRD2BCHE
SCHEMBL25208478 0.84 HSP90AA1 (0.41) SIGMAR1HSP90AA1HSP90AB1HSP90B1MAOA
SCHEMBL25229325 0.84 SIGMAR1 (0.37) SIGMAR1SUCNR1DRD2BCHECNR2

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-118317954-A Indoline as PROTAC compound 奈奥芬莱有限公司 2024-07-09 CN disclosed