SCHEMBL8996569

SCHEMBL8996569

C=C(COCC(=C)C(=O)OC1CCCCC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
CYP2C19 P33261 1/20 0.36
NAAA Q02083 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
CYP19A1 P11511 2/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL1520936 0.93 EPHX1 (0.42) EPHX1CYP2C19NAAAL3MBTL1HTT
SCHEMBL25432986 0.85 EPHX1 (0.40) EPHX1CYP2C19NAAAL3MBTL1HTT
SCHEMBL9339540 0.85 EPHX1 (0.44) EPHX1CYP2C19NAAAL3MBTL1HTT
SCHEMBL9349637 0.81 EPHX1 (0.37) EPHX1CYP2C19NAAAL3MBTL1HTT
SCHEMBL351554 0.81 EPHX1 (0.36) EPHX1CYP2C19NAAAL3MBTL1HTT
SCHEMBL28569202 0.79 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTCYP19A1
SCHEMBL13113314 0.79 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTCYP19A1
SCHEMBL824073 0.79 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTCYP19A1
SCHEMBL352819 0.79 EPHX1 (0.33) EPHX1CYP2C19NAAAHTT
SCHEMBL1524457 0.77 EPHX1 (0.44) EPHX1CYP2C19NAAAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548764-B1 Oxadimethacrylic compounds and process for their preparation BASF AG (DE) 1996-08-28 EP disclosed
US-5354895-A Alcoholysis a mixture of two different acrylics with formaldehyde in presence of oxygen and a tertiary amine, etherification by heating BASF AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0548764-A1 Oxadimethacrylic compounds and process for their preparation BASF Aktiengesellschaft (DE) 1993-06-30 EP disclosed