SCHEMBL7756044

SCHEMBL7756044

c1ccc(COCCc2cccc(Oc3cccc(CCOCc4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
TSHR P16473 1/20 0.41
DHFR P00374 2/20 0.39
PTGER1 P34995 3/20 0.38
PTGER4 P35408 3/20 0.38
PTGER3 P43115 3/20 0.38
PTGER2 P43116 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ABCB1 P08183 3/20 0.36
FOLH1 Q04609 1/20 0.36
NAAA Q02083 2/20 0.35
CD274 Q9NZQ7 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL7210082 0.90 CHRM3 (0.38) HTR1ADRD2DHFRL3MBTL1MAPT
SCHEMBL9763812 0.77 HPGD (0.45) HTR1ADRD2TSHRL3MBTL1
SCHEMBL27413845 0.77 HPGD (0.43) HTR1ADRD2TSHRL3MBTL1FOLH1
SCHEMBL7756039 0.76 TSHR (0.41) TSHRPTGER4PTGER3TDP1L3MBTL1
SCHEMBL7591220 0.76 HTR1A (0.71) HTR1ADRD2TSHRPTGER1PTGER4
SCHEMBL29387426 0.76 TSHR (0.48) HTR1ADRD2TSHRPTGER1PTGER4
SCHEMBL5653059 0.74 ABCB1 (0.59) HTR1ADRD2TDP1L3MBTL1ABCB1
SCHEMBL29005814 0.73 ALOX5 (0.44) DHFR
SCHEMBL19172033 0.72 MAPT (0.42) TSHRL3MBTL1MAPT
SCHEMBL15899172 0.71 HTR1A (0.46) HTR1ADRD2TSHRPTGER1PTGER4

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-1083058-A2 Thermally-responsive record material APPLETON PAPERS INC. (US) 2001-03-14 EP disclosed