SCHEMBL538090

SCHEMBL538090

C=CC(=O)ONC(=O)C(CC)CCCCCC/C=C\C/C=C\C/C=C\CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
CYP19A1 P11511 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
OXER1 Q8TDS5 2/20 0.42
PTGS1 P23219 2/20 0.42
PPARG P37231 2/20 0.42
KMT2A Q03164 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
NR1I2 O75469 2/20 0.42
PTGS2 P35354 2/20 0.42
MEN1 O00255 1/20 0.42
FFAR1 O14842 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
SCHEMBL537660 0.92 ALDH1A1 (0.41) ALDH1A1F7F3CYP19A1KDM4E
SCHEMBL316780 0.89 CA1 (0.43) CYP3A4KMT2AMEN1FFAR1HPGD
SCHEMBL1955120 0.89 CA1 (0.43) CYP3A4KMT2AMEN1FFAR1HPGD
SCHEMBL1949874 0.89 CA1 (0.43) CYP3A4KMT2AMEN1FFAR1HPGD
SCHEMBL1948716 0.86 KDM4E (0.45) KDM4ESOAT1TRPV1
SCHEMBL165280 0.85 ALDH1A1 (0.41) ALDH1A1F7F3CYP19A1KDM4E
SCHEMBL1952392 0.82 CA2 (0.49) FFAR1HPGDTSHR
SCHEMBL317478 0.82 CA2 (0.49) FFAR1HPGDTSHR
SCHEMBL1949635 0.82 CA2 (0.49) FFAR1HPGDTSHR
SCHEMBL1949922 0.81 CNR2 (0.41) KDM4ECYP3A4KMT2AMEN1FFAR1

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-2414462-A1 COATING COMPOSITION, (METH)ACRYL-POLYMER AND MONOMER MIXTURE FOR PRODUCING SAID (METH)ACRYL-POLYMER Evonik Röhm GmbH (DE) 2012-02-08 EP disclosed
EP-2321254-A1 FUNCTIONALIZED (METH)ACRYLATE MONOMER, POLYMER, COATING AGENT, AND PRODUCTION AND CROSS-LINKING METHOD Evonik Röhm GmbH (DE) 2011-05-18 EP disclosed
WO-2010112474-A1 COATING COMPOSITION, (METH)ACRYL-POLYMER AND MONOMER MIXTURE FOR PRODUCING SAID (METH)ACRYL-POLYMER EVONIK RÖHM GMBH (DE) 2010-10-07 WO disclosed
WO-2010026204-A1 FUNCTIONALIZED (METH)ACRYLATE MONOMER, POLYMER, COATING AGENT, AND PRODUCTION AND CROSS-LINKING METHOD EVONIK RÖHM GMBH (DE) 2010-03-11 WO disclosed