SCHEMBL8302105

SCHEMBL8302105

CCOc1ccc(C(=O)C(=O)Nc2c(Cl)cncc2Cl)c2c1oc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 14/20 0.51
▸ PDE4D Q08499 13/20 0.46
▸ PDE4A P27815 12/20 0.46
▸ PDE4C Q08493 12/20 0.46
▸ CYP19A1 P11511 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL5022869 0.90 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL8298189 0.89 PDE4B (0.62) PDE4BPDE4DPDE4APDE4C
SCHEMBL8299625 0.87 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL8298827 0.85 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL3995780 0.83 KMT2A (0.46) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL8302112 0.83 NPC1 (0.46) CYP19A1CYP11B1CYP11B2MAPTTSHR
SCHEMBL8301443 0.83 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CCYP19A1
SCHEMBL14174070 0.82 PDE4B (0.52) PDE4BPDE4DPDE4APDE4CTSHR
SCHEMBL5022827 0.80 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL8353862 0.80 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C

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-2004111044-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS:PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-12-23 — — WO disclosed
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