SCHEMBL4737348

SCHEMBL4737348

COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)[C@@H]2C)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
NR3C1 P04150 1/20 0.50
PTAFR P25105 1/20 0.46
CYP2D6 P10635 1/20 0.43
EDNRA P25101 1/20 0.43
LMNA P02545 1/20 0.42
PDE4A P27815 3/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 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
SCHEMBL10059912 1.00 SLC22A12 (0.54) SLC22A12NR3C1PTAFRCYP2D6EDNRA
Isoguaiacin SCHEMBL30046020 0.83 SLC22A12 (0.67) SLC22A12NR3C1CYP2D6
Isoguaiacin SCHEMBL29484562 0.83 SLC22A12 (0.67) SLC22A12NR3C1CYP2D6
Isoguaiacin SCHEMBL25046257 0.83 SLC22A12 (0.67) SLC22A12NR3C1CYP2D6
Isoguaiacin SCHEMBL29484561 0.83 SLC22A12 (0.67) SLC22A12NR3C1CYP2D6
SCHEMBL10026173 0.82 SLC22A12 (0.50) SLC22A12NR3C1PTAFRCYP2D6
SCHEMBL29895300 0.80 SLC22A12 (0.78) SLC22A12NR3C1CYP2D6
SCHEMBL23710752 0.80 SLC22A12 (0.78) SLC22A12NR3C1CYP2D6
SCHEMBL29895233 0.80 SLC22A12 (0.78) SLC22A12NR3C1CYP2D6
SCHEMBL23710758 0.80 SLC22A12 (0.78) SLC22A12NR3C1CYP2D6

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
WO-2008066255-A1 COMPOSITION FOR EXTERNAL APPLICATION CONTAINING PPARS ACTIVATOR FROM PLANT AMOREPACIFIC CORPORATION (KR) 2008-06-05 WO claimed
WO-2008066255-A1 COMPOSITION FOR EXTERNAL APPLICATION CONTAINING PPARS ACTIVATOR FROM PLANT AMOREPACIFIC CORPORATION (KR) 2008-06-05 WO disclosed
WO-2008066255-A1 COMPOSITION FOR EXTERNAL APPLICATION CONTAINING PPARS ACTIVATOR FROM PLANT AMOREPACIFIC CORPORATION (KR) 2008-06-05 WO disclosed