SCHEMBL712292

SCHEMBL712292

COC=C(C(=O)O)c1cccc(C)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.47
PTGER3 P43115 5/20 0.47
PTGER2 P43116 5/20 0.47
PTGER1 P34995 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39

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
SCHEMBL5046789 0.81 SGMS2 (0.52) PTGER1L3MBTL1KMT2ALMNARXRA
SCHEMBL5046787 0.81 SGMS2 (0.52) PTGER1L3MBTL1KMT2ALMNARXRA
SCHEMBL10442994 0.81 SGMS2 (0.52) PTGER1L3MBTL1KMT2ALMNARXRA
SCHEMBL10337677 0.81 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1L3MBTL1
SCHEMBL1396290 0.81 ALDH1A1 (0.57) PTGER4PTGER3PTGER2PTGER1L3MBTL1
SCHEMBL16039621 0.80 LMNA (0.57) PTGER4PTGER3PTGER2PTGER1L3MBTL1
Hydrochloric Acid SCHEMBL18037169 0.79 ALDH1A1 (0.55) PTGER4PTGER3PTGER2PTGER1L3MBTL1
SCHEMBL7770355 0.79 ERCC5 (0.46) SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL6265289 0.79 ERCC5 (0.46) SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL7770353 0.79 ERCC5 (0.46) SMN1; SMN2KMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124761-B2 Coupling of methyl (E)-2-{2-[6-chloropyrimidin-4-yloxy]phenyl}-3-methoxyacrylate with 2-cyanophenyl in DMF with 2 mol % DABCO; significantly smaller amounts of this relatively expensive catalyst may be used without compromising the yield SYNGENTA LIMITED (GB) 2012-02-28 US disclosed
EP-2308825-A1 Process for the preparation of an intermediate for azoxystrobin Syngenta Limited (GB) 2011-04-13 EP disclosed