SCHEMBL8326127

SCHEMBL8326127

COc1ccc(C(=O)Nc2c(Cl)c[n+](C)cc2Cl)c2c3c(oc12)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 16/20 0.49
▸ PDE4A P27815 15/20 0.49
▸ PDE4B Q07343 15/20 0.49
▸ PDE4C Q08493 15/20 0.49
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 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
SCHEMBL8325303 0.88 PDE4D (0.64) PDE4DPDE4APDE4BPDE4C
SCHEMBL8319816 0.87 PDE4D (0.63) PDE4DPDE4APDE4BPDE4C
SCHEMBL8324668 0.78 PDE4A (0.59) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL8327236 0.78 MAPT (0.47) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL8319163 0.78 ALDH1A1 (0.39) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL8324079 0.77 PDE4D (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL8318940 0.77 PDE4A (0.58) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL8320953 0.77 ALDH1A1 (0.39) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL8264976 0.76 PDE4D (0.59) PDE4DPDE4APDE4BPDE4C
SCHEMBL8319231 0.75 PDE4D (0.58) PDE4DPDE4APDE4BPDE4C

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-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 — — WO disclosed
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