SCHEMBL6633496

SCHEMBL6633496

O=C(O)OCCCCCCCC/C=C/CCCCCCCCOC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
EPHX2 P34913 2/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL3113503 1.00 FAAH (0.46) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL9579035 1.00 FAAH (0.46) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL7740231 1.00 FAAH (0.46) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL3113457 1.00 FAAH (0.46) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL3118225 1.00 FAAH (0.46) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL9616905 1.00 FAAH (0.46) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL435552 1.00 FAAH (0.46) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL5170185 0.98 FAAH (0.45) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL299650 0.98 FAAH (0.45) FAAHEPHX2ALDH1A1CYP3A4TSHR
SCHEMBL3121646 0.98 FAAH (0.43) FAAHEPHX2ALDH1A1CYP3A4TSHR

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
EP-1421072-A1 POLYESTER POLYCARBONATES MADE FROM SPECIAL DIPHENOLS Bayer MaterialScience AG (DE) 2004-05-26 EP disclosed
WO-2003020714-A1 POLYESTER POLYCARBONATES MADE FROM SPECIAL DIPHENOLS BAYER MATERIALSCIENCE AG (DE) 2003-03-13 WO disclosed
EP-1268604-A1 POLYESTER CARBONATE AND A DATA CARRIER THEREFROM Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070847-A1 POLYESTER CARBONATE AND A DATA CARRIER THEREFROM BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed