SCHEMBL6435626

SCHEMBL6435626

CCCCCCCCCCCCOP1Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.35
CD14 P08571 3/20 0.35
LY96 Q9Y6Y9 3/20 0.35
PTGS2 P35354 2/20 0.32
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
NR5A2 O00482 1/20 0.30
NR5A1 Q13285 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL14533611 1.00 TLR4 (0.35) TLR4CD14LY96PTGS2ELANE
SCHEMBL5048789 1.00 TLR4 (0.35) TLR4CD14LY96PTGS2ELANE
SCHEMBL5051084 1.00 TLR4 (0.35) TLR4CD14LY96PTGS2ELANE
SCHEMBL6431828 1.00 TLR4 (0.35) TLR4CD14LY96PTGS2ELANE
SCHEMBL98164 1.00 TLR4 (0.35) TLR4CD14LY96PTGS2ELANE
SCHEMBL1531365 1.00 TLR4 (0.35) TLR4CD14LY96PTGS2ELANE
SCHEMBL14534435 0.95 TLR4 (0.33) TLR4CD14LY96PTGS2
SCHEMBL31335157 0.93 TLR4 (0.30) TLR4CD14LY96PTGS2NR5A2
SCHEMBL17636611 0.92 TLR4 (0.31) TLR4CD14LY96
SCHEMBL5048780 0.90 ELANE (0.34) TLR4CD14LY96ELANECD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283245-B1 POLYESTER RESIN COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF KANEKA CORP (JP) 2005-11-09 EP disclosed
US-20040024139-A1 Polyester resin composition and process for the preparation thereof KANEKA CORPORATION (JP) 2004-02-05 US disclosed
EP-1283245-A1 POLYESTER RESIN COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF KANEKA CORPORATION (JP) 2003-02-12 EP disclosed