SCHEMBL6188065

SCHEMBL6188065

C=CC(C1=C(O)C(=O)C(CCC)(CCc2ccccc2)OC1=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 2/20 0.32
PPARG P37231 2/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
PGR P06401 1/20 0.32
CTSD P07339 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
PGA5 P0DJD9 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CTSE P14091 1/20 0.32
GABRA1 P14867 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32
AGTR1 P30556 1/20 0.32
CCKAR P32238 1/20 0.32

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
SCHEMBL6189972 0.88 GAA (0.32) GAAL3MBTL1PPARGKDM4EMAPT
SCHEMBL6188226 0.84 HTR2A (0.38) GAAL3MBTL1HSD11B1PPARGMLNR
SCHEMBL6186075 0.84 MMP2 (0.33) PPARGOPRD1KDM4EMAPTCYP3A4
SCHEMBL6189248 0.81 CYP1A2 (0.34) HSD11B1KDM4ECYP3A4HSD17B10LMNA
SCHEMBL6189555 0.81 CNR2 (0.36) GAAL3MBTL1CYP3A4LMNAALDH1A1
SCHEMBL6191058 0.79 KDM4A (0.34) GAAL3MBTL1HSD11B1HTR2AOPRD1
SCHEMBL6187048 0.79 GAA (0.36) GAAL3MBTL1HSD11B1OPRD1
SCHEMBL6175679 0.78 OPRD1 (0.48) GAAL3MBTL1PPARGMLNRNR1I2
SCHEMBL6191220 0.77 KDM4A (0.33) GAAL3MBTL1HSD11B1HTR2AOPRD1
SCHEMBL6189357 0.77 CNR2 (0.33) KDM4ECYP3A4HSD17B10ALDH1A1

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-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP claimed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed