SCHEMBL4725795

SCHEMBL4725795

C=CCCCO[C](C)CC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 5/20 0.42
HPGD P15428 2/20 0.36
ATM Q13315 1/20 0.34
LPAR3 Q9UBY5 2/20 0.34
LMNA P02545 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
CYP3A4 P08684 3/20 0.34
USP2 O75604 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.32

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
SCHEMBL4725069 0.86
SCHEMBL4726397 0.79
SCHEMBL29220317 0.77 ALDH1A1 (0.41) ALDH1A1TSHRHPGDATMLPAR3
SCHEMBL21986681 0.77 NAAA (0.55) ALDH1A1TSHRHPGDATMLPAR3
SCHEMBL2838452 0.76
SCHEMBL5225033 0.74
SCHEMBL9181867 0.72 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATMLPAR3
SCHEMBL2201819 0.72 MEN1 (0.44) ALDH1A1TSHR
SCHEMBL17801423 0.72
SCHEMBL2202114 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016187363-A1 EMULSION COMPOSITION FOR ENERGY CURABLE INK COMPOSITIONS AND A PRINTING PROCESS AND METHOD THEREOF LUBRIZOL ADVANCED MATERIALS, INC. (US) 2016-11-24 WO disclosed
EP-1786877-B1 RADIATION CURABLE INKJET INKS, METHOD OF MANUFACTURE, AND METHODS OF USE THEREOF COLLINS INK CORP (US) 2016-04-13 EP disclosed
WO-2016011116-A1 MATTING OR TEXTURING EFFECTS THROUGH TUNG OIL IN UV COATINGS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2016-01-21 WO disclosed
WO-2008048533-A2 INK COMPOSITIONS AND METHODS OF USE THEREOF HEXION SPECIALTY CHEMICALS, INC. (US) 2008-04-24 WO disclosed
US-20080090929-A1 Ink compositions and methods of use thereof HEXION SPECIALTY CHEMICALS, INC. 2008-04-17 US disclosed
WO-2008002543-A2 LOW VISCOSITY UV CURABLE INK FORMULATIONS HEXION SPECIALTY CHEMICALS INC. (US) 2008-01-03 WO disclosed
EP-1786877-A2 RADIATION CURABLE INKJET INKS, METHOD OF MANUFACTURE, AND METHODS OF USE THEREOF Hexion Specialty Chemicals Research Belgium S.A. (BE) 2007-05-23 EP disclosed
WO-2006085992-A2 RADIATION CURABLE INKJET INKS, METHOD OF MANUFACTURE, AND METHODS OF USE THEREOF HEXION SPECIALTY CHEMICALS, INC. (US) 2006-08-17 WO disclosed