SCHEMBL8745859

SCHEMBL8745859

O=C(O)C=COc1ccccc1CCO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
PTGER4 P35408 3/20 0.39
PTGER3 P43115 3/20 0.39
PTGER2 P43116 3/20 0.39
PTGER1 P34995 1/20 0.39
HRH1 P35367 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
GAA P10253 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL146449 0.83 HRH1 (0.43) HTTPTGER4PTGER3PTGER2PTGER1
SCHEMBL22070625 0.75 PTGER3 (0.59) HTTPTGER4PTGER3PTGER2PTGER1
SCHEMBL3318373 0.75 ALDH1A1 (0.46) HTTPTGER4PTGER3PTGER2PTGER1
SCHEMBL4138034 0.74 CA1 (0.48) HTTPTGER4PTGER3PTGER2PTGER1
SCHEMBL27970317 0.73 SMN1; SMN2 (0.53) HTTSMN1; SMN2KDM4EGAA
Acrylic Acid SCHEMBL1484166 0.72 HRH1 (0.53) HTTHRH1GAA
SCHEMBL4752622 0.71 L3MBTL1 (0.63) SMN1; SMN2KDM4E
SCHEMBL6236000 0.70 HRH1 (0.48) HRH1MTNR1AMTNR1B
SCHEMBL7171659 0.70 ALDH1A1 (0.51) KDM4EGAA
SCHEMBL10347948 0.69 HSD17B10 (0.44) HTTSMN1; SMN2KDM4EHCAR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755804-A1 Thermal mimeograph paper DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1997-01-29 EP disclosed