SCHEMBL7113276

SCHEMBL7113276

CCCCCC1=CCC[C@H]1OC(=O)CC(=O)O[C@@H]1CCC=C1CCCCC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.45
NAAA Q02083 2/20 0.39
TBXA2R P21731 4/20 0.35
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
DNTT P04053 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SPHK1 Q9NYA1 1/20 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
SCHEMBL7113278 0.93 PTGER2 (0.43) PTGER2NAAATBXA2RDNTTALDH1A1
SCHEMBL7113283 0.93 PTGER2 (0.43) PTGER2NAAATBXA2RDNTTALDH1A1
SCHEMBL5964829 0.78 PTGER2 (0.45) PTGER2NAAATBXA2RDNTTALDH1A1
SCHEMBL2302603 0.76 PTGER2 (0.36) PTGER2SPHK1
SCHEMBL7943227 0.75 PTGER2 (0.49) PTGER2NAAATBXA2RCNR2CNR1
SCHEMBL7987075 0.74 PTGER2 (0.51) PTGER2NAAATBXA2RCNR2CNR1
SCHEMBL9848760 0.72 NAAA (0.54) NAAA
SCHEMBL9325912 0.72 NAAA (0.54) NAAA
SCHEMBL9325987 0.72 NAAA (0.54) NAAA
SCHEMBL23270236 0.71 PTGER2 (0.40) PTGER2ALDH1A1SPHK1

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-1048643-B1 Process for the preparation of chiral epoxides FIRMENICH & CIE (CH) 2003-10-22 EP disclosed
US-6262288-B1 Process for the preparation of chiral epoxides FIRMENICH SA (CH) 2001-07-17 US disclosed
EP-1048643-A1 Process for the preparation of chiral epoxides FIRMENICH SA (CH) 2000-11-02 EP disclosed