SCHEMBL2771247

SCHEMBL2771247

COc1ccc(-c2c(CC(C)O)oc(=O)c3ccccc23)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.46
▸ PDE4B Q07343 3/20 0.46
▸ PDE4C Q08493 3/20 0.46
▸ PDE4D Q08499 3/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ SMPD1 P17405 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ABCB1 P08183 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL2773724 0.96 CYP1A1 (0.46) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL2772277 0.93 KDM4E (0.45) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL2772806 0.90 KDM4E (0.48) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL2785396 0.89 KDM4E (0.42) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL2774638 0.88 TP53 (0.40) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL2786982 0.87 PDE4D (0.41) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL2771452 0.86 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL2773020 0.86 KMT2A (0.43) TP53POLBKDM4EALDH1A1NPC1
SCHEMBL2771444 0.86 SMPD1 (0.42) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL2771578 0.84 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DTP53

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