SCHEMBL21409698

SCHEMBL21409698

COCc1cc(O)ccc1C(C)(c1ccccc1)c1ccc(O)cc1COC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B3 P37058 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
ALOX15 P16050 2/20 0.34
PRKCE Q02156 3/20 0.34
MYLK Q15746 2/20 0.34
MEN1 O00255 1/20 0.34
PRKCG P05129 1/20 0.34
MAPT P10636 1/20 0.34
PRKCA P17252 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL22588792 0.80 ESR1 (0.47) ESR1ESR2ALDH1A1CYP3A4POLB
SCHEMBL10455474 0.78 ESR1 (0.52) ESR1ESR2ALDH1A1CYP3A4ALOX15
SCHEMBL23861350 0.76 ESR2 (0.59) ESR1ESR2ALDH1A1CYP3A4POLB
SCHEMBL3359241 0.75 ESR1 (0.50) ESR1ESR2ALDH1A1CYP3A4GAA
SCHEMBL15841510 0.75 ESR1 (0.62) ESR1ESR2ALDH1A1CYP3A4POLB
SCHEMBL9651462 0.75 ESR2 (0.57) ESR1ESR2ALDH1A1CYP3A4POLB
SCHEMBL21189652 0.73 ESR2 (0.55) ESR1ESR2ALDH1A1CYP3A4POLB
SCHEMBL23861363 0.73 ALDH1A1 (0.59) ESR1ESR2ALDH1A1CYP3A4POLB
SCHEMBL10452199 0.73 ESR1 (0.46) ESR1ESR2ALDH1A1CYP3A4POLB
SCHEMBL11059959 0.71 ESR1 (0.52) ESR1ESR2ALDH1A1CYP3A4ALOX15

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
WO-2019188432-A1 RESIN COMPOSITION AND ELECTRONIC COMPONENT 日本ゼオン株式会社 2019-10-03 WO disclosed