SCHEMBL4451584

SCHEMBL4451584

CCCCCC(CC)c1cccc(OPOc2cccc(C(CC)CCCCC)c2C(CC)CCCCC)c1C(CC)CCCCC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.34
PPARG P37231 2/20 0.33
DHFR P00374 1/20 0.33
EGFR P00533 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
SLC37A4 O43826 1/20 0.31
MCHR1 Q99705 2/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
CNR2 P34972 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
SCHEMBL4451585 0.89 PPARG (0.34) NR1I2PPARGDHFREGFRCYSLTR2
SCHEMBL4453787 0.81 NR1I2 (0.35) NR1I2PPARGCYSLTR2CYSLTR1SLC37A4
SCHEMBL5164981 0.79 CYSLTR2 (0.41) NR1I2PPARGCYSLTR2CYSLTR1SLC37A4
SCHEMBL4453788 0.79 INPPL1 (0.40) NR1I2PPARGCYSLTR2CYSLTR1
SCHEMBL6283436 0.76 NR1I2 (0.37) NR1I2CYSLTR2CYSLTR1SLC37A4PRSS1
SCHEMBL9445858 0.76 NR1I2 (0.37) NR1I2CYSLTR2CYSLTR1SLC37A4
SCHEMBL7784135 0.75 PPARG (0.40) NR1I2PPARGDHFREGFRCYSLTR2
SCHEMBL31170749 0.75 MEN1 (0.41) NR1I2PPARGCYSLTR2CYSLTR1SLC37A4
SCHEMBL22664877 0.74 ALOX5 (0.44) NR1I2PPARGALOX5PTGS2PRSS1
SCHEMBL29028928 0.74 PPARG (0.42) NR1I2PPARGDHFREGFRCYSLTR2

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-20090027586-A1 Thermoplastic Resin Composition, and Liquid Crystal Display Component Thereof or Information Recording Media Component Thereof POLYPLASTICS CO., LTD. (JP) 2009-01-29 US disclosed
EP-1992666-A1 THERMOPLASTIC RESIN COMPOSITION AND LIQUID CRYSTAL DISPLAY PART OR INFORMATION RECORDING MEDIUM PART USING THE COMPOSITION Polyplastics Co., Ltd. (JP) 2008-11-19 EP disclosed