SCHEMBL4110658

SCHEMBL4110658

COC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(O)cc2)c1S(=O)(=O)CO

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.54
PPARA Q07869 1/20 0.54
CNR2 P34972 11/20 0.51

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
SCHEMBL3089742 0.84 CNR1 (0.57) CNR1PPARACNR2
SCHEMBL3081674 0.83 CNR1 (0.72) CNR1PPARACNR2
SCHEMBL5332264 0.81 CNR2 (0.65) CNR1CNR2
SCHEMBL908827 0.79 CNR2 (0.60) CNR1CNR2
SCHEMBL908310 0.77 CNR2 (0.75) CNR1PPARACNR2
SCHEMBL909361 0.76 CNR2 (0.59) CNR1CNR2
SCHEMBL8012882 0.76 CNR2 (0.59) CNR1CNR2
SCHEMBL4906387 0.75 CNR1 (0.56) CNR1PPARACNR2
SCHEMBL4612450 0.75 CNR1 (0.67) CNR1PPARACNR2
SCHEMBL8019052 0.74 CNR2 (0.57) CNR1CNR2

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
EP-2035389-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007148062-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-12-27 WO disclosed