SCHEMBL9007865

SCHEMBL9007865

OCC(O)C=CCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.38
RCE1 Q9Y256 1/20 0.38
MAPT P10636 1/20 0.38
TK1 P04183 1/20 0.37
AGXT P21549 1/20 0.37
FOLH1 Q04609 1/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9586136 1.00 HTT (0.51) HTTTSHRCA1CA2CA7
SCHEMBL28552172 0.80 TSHR (0.45) HTTTSHRCA1CA2CA7
SCHEMBL1524098 0.78 TSHR (0.67) HTTTSHRCA1CA2CA7
SCHEMBL1524411 0.78 TSHR (0.67) HTTTSHRCA1CA2CA7
SCHEMBL1524101 0.78 TSHR (0.67) HTTTSHRCA1CA2CA7
SCHEMBL9739112 0.78 CA1 (0.44) HTTTSHRCA1CA2CA7
SCHEMBL9739110 0.78 CA1 (0.44) HTTTSHRCA1CA2CA7
SCHEMBL9550255 0.78 CA1 (0.44) HTTTSHRCA1CA2CA7
SCHEMBL9550253 0.78 CA1 (0.44) HTTTSHRCA1CA2CA7
SCHEMBL24434511 0.77 TSHR (0.50) HTTTSHRCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5097833-A None JP disclosed
EP-0515142-B1 Optically active epoxides and a process for the production thereof CHISSO CORP (JP) 1996-10-23 EP disclosed
US-5310956-A From alkenyl ethylene glycols, titanium tetraalkoxide, dialkyl tartrate, a peroxide, epoxidation CHISSO CORPORATION (JP) 1994-05-10 US disclosed
US-5254704-A Chemical intermediates CHISSO CORPORATION (JP) 1993-10-19 US disclosed
JP-H0597833-A OPTICALLY ACTIVE ALKENYLETHYLENE GLYCOLS AND PRODUCTION THEREOF CHISSO CORP 1993-04-20 JP disclosed
EP-0515142-A1 Optically active epoxides and a process for the production thereof CHISSO CORPORATION (JP) 1992-11-25 EP disclosed