SCHEMBL18850582

SCHEMBL18850582

CCOP(Cc1cc2cc(Cl)c(OC)cc2n1S(=O)(=O)c1ccccc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 13/20 0.42
▸ PPARA Q07869 10/20 0.42
▸ PPARD Q03181 7/20 0.42
▸ MTNR1B P49286 1/20 0.41
▸ ALDH3A1 P30838 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ BRD1 O95696 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ BRPF3 Q9ULD4 1/20 0.35

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
SCHEMBL18851080 0.84 PPARG (0.48) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL18851582 0.84 PPARG (0.46) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL18850580 0.82 PPARG (0.43) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL18824246 0.80 PPARG (0.47) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL18851390 0.78 PPARG (0.39) PPARGPPARAPPARDMTNR1BALDH1A1
SCHEMBL18824208 0.74 NOD2 (0.47) PPARGPPARAPPARDMTNR1BALDH3A1
SCHEMBL3525871 0.69 PPARG (0.59) PPARGPPARAPPARDMTNR1B
SCHEMBL18851072 0.67 ACLY (0.40) ALDH3A1
SCHEMBL4657662 0.66 PPARG (0.70) PPARGPPARAPPARDNOD2NOD1
SCHEMBL3523667 0.66 PPARG (0.76) PPARGPPARAPPARD

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-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — WO disclosed
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