SCHEMBL13316641

SCHEMBL13316641

CC(C)(C)OC(=O)CC(C=O)c1ccc(Cc2cccc(Cl)c2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.34
CNR2 P34972 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
S1PR3 Q99500 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CFD P00746 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
KLKB1 P03952 2/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL13316643 0.89 CCNT1 (0.35) CCNT1CNR2ALOX5APFEN1CFD
SCHEMBL13316640 0.84 CCNT1 (0.32) CCNT1CNR2SLC22A12S1PR3CFD
SCHEMBL13316668 0.82 S1PR3 (0.39) CNR2SLC22A12S1PR3CTSK
SCHEMBL13316630 0.76 CCNT1 (0.33) CCNT1CNR2ALOX5APFEN1CFD
SCHEMBL13349710 0.76 CXCR2 (0.32) CNR2SLC22A12KLKB1
SCHEMBL13316666 0.75 S1PR3 (0.40) CNR2SLC22A12S1PR3SGMS2CTSK
SCHEMBL13316656 0.73 KLKB1 (0.34) SLC22A12KLKB1
SCHEMBL13316575 0.73 KDM4C (0.35) ALOX5APFEN1
SCHEMBL13349598 0.72 CXCR2 (0.32) CNR2SLC22A12KLKB1
SCHEMBL13316618 0.72

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