SCHEMBL2805301

SCHEMBL2805301

CC(C)COc1ccc(-c2c(CC(C)O)oc(=O)c3ccccc23)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.41
▸ ELANE P08246 1/20 0.39
▸ DHODH Q02127 2/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX5 P09917 3/20 0.35
▸ MAOB P27338 3/20 0.35
▸ EYA3 Q99504 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ PIM1 P11309 1/20 0.34

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
SCHEMBL2771320 0.88 PTGES (0.54) PTGESMEN1ALDH1A1GAAKMT2A
SCHEMBL2789297 0.88 PDE4A (0.47) ELANEDHODHPDE4APDE4BPDE4C
SCHEMBL2787046 0.88 PTGES (0.40) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL2787871 0.86 PDE4D (0.40) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL2791143 0.84 DHODH (0.42) ELANEDHODHPDE4APDE4BPDE4C
SCHEMBL2789925 0.82 PDE4A (0.52) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL2788405 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771225 0.82 PTGES (0.54) PTGESMEN1GAAKMT2ASMN1; SMN2
SCHEMBL2772806 0.81 KDM4E (0.48) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL2805298 0.81 PDE4A (0.55) PTGESELANEDHODHPDE4APDE4B

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-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 — — WO disclosed
Send feedback