SCHEMBL30401410

SCHEMBL30401410

COc1ccc(C2(C=O)CCCCC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
LMNA P02545 2/20 0.57
CASP1 P29466 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 3/20 0.45
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.43
G6PD P11413 1/20 0.40

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
SCHEMBL29025551 1.00 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6351319 0.92 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL30400896 0.84 LMNA (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL20500689 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7181002 0.82 PDE4B (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL6357472 0.79 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL31574681 0.79 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6353824 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL21961572 0.78 SLC6A4 (0.50) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL21964255 0.78 SLC6A4 (0.50) PDE4APDE4BPDE4CPDE4DGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178383-B Method for synthesizing alkaloid by catalyzing alkaloid and ferric iron porphyrin 南方科技大学 2025-04-22 CN disclosed
CN-116178383-A Method for synthesizing alkaloid by catalyzing alkaloid and ferric iron porphyrin 南方科技大学 2023-05-30 CN disclosed