SCHEMBL2791143

SCHEMBL2791143

CC(C)COc1ccc(-c2c(CC(C)O)oc(=O)c3ccccc23)cc1OCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.42
▸ PSMD14 O00487 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL2773020 0.92 KMT2A (0.43) PSMD14MMP2BLMKMT2AALDH1A1
SCHEMBL2772268 0.91 KMT2A (0.44) PSMD14MMP2BLMPDE4APDE4B
SCHEMBL2787889 0.89 PDE4A (0.38) PSMD14MMP2BLMPDE4APDE4B
SCHEMBL2789297 0.89 PDE4A (0.47) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL2785822 0.88 PDE4B (0.41) PSMD14MMP2BLMPDE4APDE4B
SCHEMBL2805301 0.84 PTGES (0.41) DHODHPDE4APDE4BPDE4CPDE4D
SCHEMBL2791139 0.83 PDE4A (0.55) DHODHPSMD14MMP2BLMPDE4A
SCHEMBL2788405 0.83 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772806 0.81 KDM4E (0.48) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL2771247 0.78 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1

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
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