SCHEMBL11252007

SCHEMBL11252007

CCCCCCCCCc1cccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2cccc(CCCCCCCCC)c2CCCCCCCCC)c1CCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.38
PTGS2 P35354 6/20 0.37
ALOX5 P09917 1/20 0.37
PPARA Q07869 2/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
PPARG P37231 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
LIPG Q9Y5X9 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SLC2A1 P11166 1/20 0.31
BID P55957 3/20 0.31
MCL1 Q07820 3/20 0.31
BCL2L1 Q07817 2/20 0.31
BAK1 Q16611 2/20 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
SCHEMBL5490287 0.83 PTGS2 (0.50) PTGS2ALOX5PPARATHRATHRB
SCHEMBL9339451 0.83 PTGS2 (0.50) PTGS2ALOX5PPARATHRATHRB
SCHEMBL6520493 0.83 PTGS2 (0.50) PTGS2ALOX5PPARATHRATHRB
SCHEMBL31357419 0.83 PTGS2 (0.50) PTGS2ALOX5PPARATHRATHRB
SCHEMBL8389827 0.83 PTGS2 (0.50) PTGS2ALOX5PPARATHRATHRB
SCHEMBL6461210 0.83 PTGS2 (0.50) PTGS2ALOX5PPARATHRATHRB
SCHEMBL94595 0.83 PTGS2 (0.50) PTGS2ALOX5PPARATHRATHRB
SCHEMBL160365 0.82 PTGS2 (0.51) PTGS2ALOX5PPARATHRATHRB
SCHEMBL18916674 0.81 NPSR1 (0.34) GHSRPTGS2ALOX5THRATHRB
SCHEMBL8379300 0.80 THRA (0.51) PTGS2ALOX5PPARATHRATHRB

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-4348308-A IMPROVING COLOR STABILITY OF VINYL CHLORIDE POLYMERS ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1982-09-07 US disclosed
US-4282141-A DISCOLORATION INHIBITION FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-08-04 US disclosed