SCHEMBL5683344

SCHEMBL5683344

CCOC(=O)CC(C)(C)C=CC(Cl)(Cl)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
POLB P06746 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 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
SCHEMBL5683340 1.00 GAA (0.35) GAAMGAMSIMGAM2TRPA1
SCHEMBL8407050 0.87 GAA (0.38) GAAMGAMSIMGAM2TRPA1
SCHEMBL8407051 0.87 GAA (0.38) GAAMGAMSIMGAM2TRPA1
SCHEMBL5686103 0.84 TRPA1 (0.35) GAAMGAMSIMGAM2TRPA1
SCHEMBL5686106 0.84 TRPA1 (0.35) GAAMGAMSIMGAM2TRPA1
SCHEMBL5683291 0.83 TSHR (0.31)
SCHEMBL5683289 0.83 TSHR (0.31)
SCHEMBL9796681 0.83 GAA (0.40) GAAMGAMSIMGAM2TRPA1
SCHEMBL9796686 0.83 GAA (0.40) GAAMGAMSIMGAM2TRPA1
SCHEMBL8969178 0.83 MGAM (0.34) GAAMGAMSIMGAM2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832873-B1 Preparation of cyclopropane esters SYNGENTA LTD (GB) 2006-03-08 EP disclosed
EP-0793638-B1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LTD (GB) 1999-06-30 EP disclosed
CN-1220255-A Preparation of cyclopropane esters ZENECA LTD (GB) 1999-06-23 CN disclosed
EP-0700375-B1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LTD (GB) 1998-12-23 EP disclosed
EP-0700373-B1 PREPARATION OF HALOGENATED ALCOHOLS ZENECA LTD (GB) 1998-04-22 EP disclosed
EP-0832873-A1 Preparation of cyclopropane esters ZENECA LIMITED (GB) 1998-04-01 EP disclosed
US-5731475-A Preparation of cyclopropane esters ZENECA LIMITED (GB) 1998-03-24 US disclosed
US-5723649-A Preparation of cyclopropane esters ZENECA LIMITED (GB) 1998-03-03 US disclosed
US-5670697-A Preparation of cyclopropane esters ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0793638-A1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LIMITED (GB) 1997-09-10 EP disclosed
US-5527972-A Preparation and use of halogenated alcohols ZENECA LIMITED (GB) 1996-06-18 US disclosed
WO-1996016018-A1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LIMITED (GB) 1996-05-30 WO disclosed
EP-0700375-A1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LIMITED (GB) 1996-03-13 EP disclosed
EP-0700373-A1 PREPARATION OF HALOGENATED ALCOHOLS ZENECA LIMITED (GB) 1996-03-13 EP disclosed
WO-1994027951-A1 PREPARATION OF CYCLOPROPANE ESTERS ZENECA LIMITED (GB) 1994-12-08 WO disclosed
WO-1994027942-A1 PREPARATION OF HALOGENATED ALCOHOLS ZENECA LIMITED (GB) 1994-12-08 WO disclosed