SCHEMBL27772069

SCHEMBL27772069

CCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 2/20 0.76
▸ KDM4E B2RXH2 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ SLC22A2 O15244 1/20 0.67
▸ SLC22A1 O15245 1/20 0.67
▸ CA12 O43570 1/20 0.67
▸ AKR1B10 O60218 1/20 0.67
▸ ADAMTS4 O75173 1/20 0.67
▸ SLCO2B1 O94956 1/20 0.67
▸ CCNB2 O95067 1/20 0.67
▸ TNKS O95271 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ CA2 P00918 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ TTR P02766 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ CYP1A1 P04798 1/20 0.67
▸ APP P05067 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ GLA P06280 1/20 0.67

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
SCHEMBL27792981 0.87 POLH (0.71) POLHKDM4EMEN1SLC22A2SLC22A1
SCHEMBL2322974 0.86 POLH (1.00) POLHKDM4EMEN1SLC22A2SLC22A1
SCHEMBL30255788 0.86 POLH (1.00) POLHKDM4EMEN1SLC22A2SLC22A1
SCHEMBL14917316 0.86 POLH (0.81) POLHKDM4EMEN1SLC22A2SLC22A1
SCHEMBL20356693 0.86 CYP1B1 (0.76) POLHKDM4EMEN1SLC22A2SLC22A1
SCHEMBL27793020 0.85 POLH (0.69) POLH
SCHEMBL27772068 0.85 EGFR (0.76) POLHKDM4EMEN1SLC22A2SLC22A1
SCHEMBL27792995 0.85 POLH (0.71) POLH
Luteolin SCHEMBL14917315 0.84 CYP1B1 (0.81) POLHKDM4EMEN1SLC22A2SLC22A1
SCHEMBL27772065 0.83 POLH (0.76) POLHKDM4EMEN1SLC22A2SLC22A1

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-101591319-B Flavonoid derivatives and application thereof in preparing medicinal composition FUDAN UNIVERSITY (CN) 2011-12-21 — — CN disclosed
CN-101591319-A Flavone derivative and the purposes in pharmaceutical compositions thereof UNIV FUDAN (CN) 2009-12-02 — — CN disclosed
Send feedback