SCHEMBL3072863

SCHEMBL3072863

C=C(C(=O)O)C(C=C(C)C(=O)O)Cc1ccccc1.C=C(C)C(=O)OCCOCCOCCOCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.36
MMP8 P22894 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MIF P14174 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
CASP1 P29466 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MME P08473 2/20 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
Methacrylic Acid SCHEMBL3739485 0.82 MME (0.40) ALDH1A1MME
SCHEMBL2951352 0.82 ALPI (0.42) ALDH1A1MME
Toluene SCHEMBL8474940 0.77 MME (0.38) TDP1POLBKDM4EMME
SCHEMBL488918 0.74 THRB (0.53) THRBTSHRLMNASMN1; SMN2TDP1
Methacrylic Acid SCHEMBL28158161 0.73 THRB (0.51) THRBTSHRLMNASMN1; SMN2TDP1
SCHEMBL316845 0.73 THRB (0.54) THRBTSHRLMNASMN1; SMN2TDP1
SCHEMBL9159591 0.73 THRB (0.54) THRBTSHRLMNASMN1; SMN2TDP1
SCHEMBL15639721 0.72 TBXAS1 (0.41) MME
Methacrylic Acid SCHEMBL8041672 0.71 THRB (0.89) THRBTSHRLMNATDP1POLB
Acrylic Acid SCHEMBL28848911 0.71 THRB (0.57) THRBTSHRLMNASMN1; SMN2TDP1

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
US-7789333-B2 Media mill process E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-07 US disclosed
EP-1440128-B1 MILL PROCESS WITH CUBIC MEDIA DU PONT (US) 2006-01-18 EP disclosed
EP-1440128-A1 MILL PROCESS WITH CUBIC MEDIA E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-07-28 EP disclosed
WO-2003040245-A1 MILL PROCESS WITH CUBIC MEDIA E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-15 WO disclosed