SCHEMBL481232

SCHEMBL481232

C=C(C)C(=O)OC.C=C(C)C(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OCCCCO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PLA2G1B P04054 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ELANE P08246 1/20 0.37
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL1421114 0.89 CYP2C19 (0.43) CYP2C19LMNAALDH1A1MAPTMAPK1
SCHEMBL6018743 0.89 CYP2C19 (0.40) CYP2C19LMNAALDH1A1HTTMAPT
SCHEMBL6019118 0.88 CYP2C19 (0.40) CYP2C19LMNAALDH1A1HTTMAPT
SCHEMBL28319877 0.87 LMNA (0.50) CYP2C19LMNAALDH1A1HTTMAPT
SCHEMBL7974759 0.87 LMNA (0.48) CYP2C19LMNAALDH1A1HTTMAPT
SCHEMBL28300304 0.87 LMNA (0.45) LMNAALDH1A1HTTMAPTNPSR1
SCHEMBL7201882 0.85 HTT (0.42) CYP2C19LMNAALDH1A1HTTMAPT
SCHEMBL9407217 0.85 HTT (0.42) CYP2C19LMNAALDH1A1HTTMAPT
Methacrylic Acid SCHEMBL1022891 0.85 LMNA (0.46) CYP2C19LMNAALDH1A1HTTMAPT
Acrylic Acid Methyl Ester SCHEMBL16827218 0.84 CYP2C19 (0.46) CYP2C19LMNAALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155795-B1 COATING COMPOSITIONS DU PONT (US) 2012-02-01 EP claimed
EP-2155795-B1 COATING COMPOSITIONS DU PONT (US) 2012-02-01 EP disclosed
EP-2155795-A1 BLOCK COPOLYMERS FOR TWO COMPONENT COATING COMPOSITIONS E. I. Du Pont de Nemours and Company (US) 2010-02-24 EP disclosed
US-20080319134-A1 Block copolymers for two component coating compositions MA SHEAU-HWA 2008-12-25 US disclosed
WO-2008157578-A1 BLOCK COPOLYMERS FOR TWO COMPONENT COATING COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-24 WO disclosed