SCHEMBL8994562

SCHEMBL8994562

CC1(C)OC[C@H](COc2ccc(Oc3ccccc3)cc2)O1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MAPK14 Q16539 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LTA4H P09960 5/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CA2 P00918 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
ADRA1A P35348 2/20 0.41

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
SCHEMBL22710272 0.94 TDP1 (0.59) TDP1MAPK14MEN1KMT2ALMNA
SCHEMBL10387224 0.87 MAPK14 (0.50) MAPK14MEN1KMT2ALTA4HMAPT
SCHEMBL9833964 0.87 MAPK14 (0.50) MAPK14MEN1KMT2ALTA4HMAPT
SCHEMBL9833970 0.87 MAPK14 (0.50) MAPK14MEN1KMT2ALTA4HMAPT
SCHEMBL10417445 0.86 TDP1 (0.46) TDP1MAPK14MEN1KMT2ALMNA
SCHEMBL7595684 0.86 MAPK14 (0.48) MAPK14
SCHEMBL8724412 0.85 APP (0.46) TDP1MAPK14MEN1KMT2ALMNA
SCHEMBL7594473 0.84 MAPK14 (0.48) MAPK14CA2
SCHEMBL6267008 0.84 PKM (0.51) TDP1MAPK14MEN1KMT2ALMNA
SCHEMBL898113 0.84 CA2 (0.45) TDP1MAPK14MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501912-B1 Methyldioxolane CIBA GEIGY AG (CH) 1996-08-14 EP disclosed
US-5478958-A Stereoselective acetalization catalyst CIBA-GEIGY CORPORATION (US) 1995-12-26 US disclosed
US-5384416-A Stereospecific insecticides CIBA-GEIGY CORPORATION (US) 1995-01-24 US disclosed
US-5280041-A Such as 4-((4-phenoxyphenoxy)methyl)dioxolan CIBA-GEIGY CORPORATION (US) 1994-01-18 US disclosed
EP-0501912-A1 Methyldioxolane CIBA-GEIGY AG (CH) 1992-09-02 EP disclosed