SCHEMBL5872275

SCHEMBL5872275

CC(C)CCC(=O)CC(=O)CC(=O)CCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
ALOX5 P09917 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TRPA1 O75762 1/20 0.35
P2RX7 Q99572 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33

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
SCHEMBL11974541 0.97 CA1 (0.55) CA1ALOX5NFKB1NFKB2RELA
SCHEMBL12722976 0.91 PHF8 (0.48) CA1ALOX5NFKB1NFKB2RELA
SCHEMBL110531 0.85 CA1 (0.60) CA1TRPA1ALDH1A1GABRPGABRD
SCHEMBL2213202 0.84 CA1 (0.48) CA1CYP2D6CYP2C19KDM4CKDM4A
SCHEMBL11051339 0.84 PHF8 (0.52) CA1ALOX5NFKB1NFKB2RELA
SCHEMBL14350722 0.82 CA1 (0.57) CA1TRPA1P2RX7ALDH1A1GABRP
SCHEMBL29894122 0.80 CA1 (0.62) CA1TRPA1P2RX7
SCHEMBL3959521 0.80 TSHR (0.46) CA1ALOX5NFKB1NFKB2RELA
SCHEMBL108580 0.78
SCHEMBL2527424 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991744-B2 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-01-31 US disclosed
US-6962665-B2 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-11-08 US disclosed
US-20040222402-A1 Refrigerant compositions containing a compatibilizer MINOR BARBARA HAVILAND (US) 2004-11-11 US disclosed
EP-1451263-A1 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER AND USE THEREOF IN A COMPRESSION REFRIGERATION APPARATUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-09-01 EP disclosed
WO-2002046328-A9 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER DU PONT (US) 2004-03-04 WO disclosed
US-20030209688-A1 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-13 US disclosed
EP-1341868-A2 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-10 EP disclosed
WO-2003050200-A1 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER AND USE THEROF IN A COMPRESSION REFRIGERATION APPARATUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-19 WO disclosed
US-20030034477-A1 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY 2003-02-20 US disclosed
WO-2002046328-A2 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-13 WO disclosed