SCHEMBL822883

SCHEMBL822883

CCP(=O)(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.46
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
GAA P10253 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR2 Q9HBW0 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MMP2 P08253 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11138794 0.83 LPAR3 (0.52) LPAR3LPAR2HSD17B10
SCHEMBL1086382 0.82 ALDH1A1 (0.38) PPARDGABBR2GABBR1LPAR3LPAR2
SCHEMBL1085723 0.79 PPARD (0.41) PPARDGAA
SCHEMBL823005 0.79 PPARD (0.44) PPARDGABBR2GABBR1GAALPAR3
SCHEMBL1085805 0.77 ALDH1A1 (0.38) PPARDGABBR2GABBR1LPAR3LPAR2
SCHEMBL25355856 0.75 GABBR2 (0.48) PPARDGABBR2GABBR1LPAR3LPAR2
SCHEMBL8762942 0.73
SCHEMBL823002 0.73 PPARD (0.38) PPARDGAA
SCHEMBL575743 0.73 L3MBTL1 (0.39) GABBR2GABBR1LPAR3LPAR2
SCHEMBL1359225 0.73

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344096-B2 Phosphorus-containing polycarbonate polyol, method for production thereof, and phosphorus-containing polycarbonate polyurethane UBE INDUSTRIES, LTD. (JP) 2013-01-01 US disclosed
US-8058322-B2 Flame-retardant flexible polyurethane foam ICL-IP AMERICA INC. (US) 2011-11-15 US disclosed
US-20100197887-A1 PHOSPHORUS-CONTAINING POLYCARBONATE POLYOL, METHOD FOR PRODUCTION THEREOF, AND PHOSPHORUS-CONTAINING POLYCARBONATE POLYURETHANE UBE INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
US-20090281205-A1 Flame-retardant flexible polyurethane foam ICL-IP AMERICA INC. 2009-11-12 US disclosed