SCHEMBL2774635

SCHEMBL2774635

COc1cc(-c2c(C(C)(C)O)oc(=O)c3ccccc23)ccc1OCCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4C Q08493 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PDE7A Q13946 1/20 0.55
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CYP1A1 P04798 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL2773721 0.91 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771245 0.88 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771574 0.87 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2788871 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773801 0.85 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2785394 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2772803 0.84 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2773077 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2774638 0.82 TP53 (0.40) PDE4APDE4BPDE4CPDE4DPDE7A
SCHEMBL2771440 0.82 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DPDE7A

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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