SCHEMBL8026883

SCHEMBL8026883

O=C(O)NN1CCCCC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
RIPK1 Q13546 3/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
PRMT5 O14744 4/20 0.44
WDR77 Q9BQA1 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TRPC3 Q13507 1/20 0.44
TRPC6 Q9Y210 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 2/20 0.42

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
SCHEMBL3841906 0.95 RIPK1 (0.51) HSD11B1RIPK1PSEN1PSEN2APH1B
SCHEMBL6763836 0.83 GAA (0.45) HSD11B1RIPK1PRMT5WDR77ALDH1A1
SCHEMBL6976464 0.83 RIPK1 (0.49) HSD11B1RIPK1PSEN1PSEN2APH1B
SCHEMBL28367058 0.79 NPC1 (0.55) HSD11B1TRPC3TRPC6EPHX2
SCHEMBL8111442 0.78 CHRNB2 (0.53) HSD11B1RIPK1PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL9212412 0.77 CHRNB2 (0.51) HSD11B1RIPK1PSEN1PSEN2APH1B
SCHEMBL27627707 0.77 PARP14 (0.41) HSD11B1ALDH1A1MAPK1
SCHEMBL216202 0.75 RIPK1 (0.62) HSD11B1RIPK1PRMT5WDR77EPHX2
SCHEMBL27574934 0.75 RIPK1 (0.62) HSD11B1RIPK1PRMT5WDR77EPHX2
SCHEMBL27574946 0.75 RIPK1 (0.62) HSD11B1RIPK1PRMT5WDR77EPHX2

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-114929780-B Improved recovery of unreacted diaryl carbonate and process for producing polycarbonate 科思创德国股份有限公司 2024-11-08 CN disclosed
CN-114929780-A Process for producing polycarbonate with improved recovery of unreacted diaryl carbonate 科思创德国股份有限公司 2022-08-19 CN disclosed
WO-2000063356-A2 HERBICIDAL SEED TREATMENT SYNGENTA PARTICIPATIONS AG (CH) 2000-10-26 WO disclosed