SCHEMBL4440543

SCHEMBL4440543

CCCCCCCCCCCCCCCCc1cccc(OP(=O)(Oc2cccc(CCCCCCCCCCCCCCCC)c2CCCCCCCCCCCCCCCC)Oc2cccc(CCCCCCCCCCCCCCCC)c2CCCCCCCCCCCCCCCC)c1CCCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
PTGS2 P35354 5/20 0.48
ALOX5 P09917 1/20 0.48
PPARG P37231 2/20 0.47
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL4445994 1.00 PPARA (0.49) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL9332296 1.00 PPARA (0.49) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL207980 1.00 PPARA (0.49) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL10353669 1.00 PPARA (0.49) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL3861457 1.00 PPARA (0.49) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL4442480 1.00 PPARA (0.49) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL766607 0.98 PTGS2 (0.49) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL30476064 0.96 THRA (0.48) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL8636665 0.94 PPARA (0.47) PPARAPTGS2ALOX5PPARGTHRA
SCHEMBL385367 0.94 ALOX5 (0.43) PPARAPTGS2ALOX5PPARGTHRA

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