SCHEMBL4453787

SCHEMBL4453787

CCCCCC(CC)c1cccc(OP(=O)(Oc2cccc(C(CC)CCCCC)c2C(CC)CCCCC)Oc2cccc(C(CC)CCCCC)c2C(CC)CCCCC)c1C(CC)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
PPARG P37231 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
SLC37A4 O43826 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4453788 0.90 INPPL1 (0.40) NR1I2PPARGCYSLTR2CYSLTR1
SCHEMBL9808676 0.87 PPARG (0.39) NR1I2PPARGCYSLTR2CYSLTR1PRSS1
SCHEMBL6281611 0.85 INPPL1 (0.41) PPARGTSHR
SCHEMBL4451584 0.81 NR1I2 (0.34) NR1I2PPARGCYSLTR2CYSLTR1SLC37A4
SCHEMBL6287786 0.80 INPPL1 (0.42)
SCHEMBL5164981 0.79 CYSLTR2 (0.41) NR1I2PPARGCYSLTR2CYSLTR1SLC37A4
SCHEMBL4451585 0.78 PPARG (0.34) NR1I2PPARGCYSLTR2CYSLTR1SLC37A4
SCHEMBL7515994 0.78 CYSLTR2 (0.42) PPARGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL6913985 0.77 PPARG (0.43) PPARGCYSLTR2CYSLTR1PRSS1PRSS2
SCHEMBL6442052 0.77 FDPS (0.37) NR1I2CYSLTR2CYSLTR1

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