SCHEMBL7113283

SCHEMBL7113283

CCCCCC1=CCCC1OC(=O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.43
TBXA2R P21731 7/20 0.38
NAAA Q02083 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SCD O00767 1/20 0.35
DNTT P04053 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CDC25A P30304 5/20 0.32
CDC25B P30305 5/20 0.32
CDC25C P30307 4/20 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 1.00 PTGER2 (0.43) PTGER2TBXA2RNAAAALDH1A1SCD
SCHEMBL7109597 0.77 TBXA2R (0.38) TBXA2RALDH1A1
SCHEMBL7109591 0.77 TBXA2R (0.38) TBXA2RALDH1A1
SCHEMBL7111755 0.75 CTSK (0.32) PTGER2NAAA
SCHEMBL5964829 0.75 PTGER2 (0.45) PTGER2TBXA2RNAAAALDH1A1SCD
SCHEMBL7101676 0.73 PTGER2 (0.46) PTGER2TBXA2RALDH1A1SCDS1PR2
SCHEMBL7100309 0.73 PTGER2 (0.46) PTGER2TBXA2RALDH1A1SCDS1PR2
SCHEMBL9848760 0.69 NAAA (0.54) NAAA
SCHEMBL7110403 0.69 PTGER2 (0.46) PTGER2ALDH1A1SCDS1PR2S1PR4
SCHEMBL7110404 0.69 PTGER2 (0.46) PTGER2ALDH1A1SCDS1PR2S1PR4

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