SCHEMBL13316601

SCHEMBL13316601

CC(C)(C)[C@@H](COCc1ccccc1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
IL6ST P40189 1/20 0.38
FAAH O00519 1/20 0.38
NAAA Q02083 1/20 0.38
GHSR Q92847 2/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
IDH1 O75874 5/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PPARG P37231 1/20 0.35
AVPR1A P37288 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
SCHEMBL6671341 0.86 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL3782697 0.86 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL3782695 0.86 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL17221991 0.86 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL13316603 0.86 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL23829979 0.85 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL17222138 0.85 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL17222139 0.85 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL6068526 0.84 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1
SCHEMBL6068528 0.84 PPARA (0.43) PPARAIL6STFAAHNAAAIDH1

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
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed