SCHEMBL22787141

SCHEMBL22787141

CC(c1ccccc1)(c1ccc(O)cc1)C1C=CC(O)=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.46
ESR1 P03372 8/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
AR P10275 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
ESRRG P62508 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SHBG P04278 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL21183288 0.94 ESR2 (0.39) ESR2ESR1CYP3A4ALDH1A1LMNA
SCHEMBL23734837 0.80 P4HB (0.41) ALDH1A1
SCHEMBL20998368 0.79 LMNA (0.30) ESR2ESR1CYP3A4LMNATYR
SCHEMBL12507580 0.78 ESR1 (0.44) ESR2ESR1CYP3A4ALDH1A1LMNA
SCHEMBL23734757 0.77 ESR2 (0.35) ESR2ESR1CYP3A4ALDH1A1LMNA
SCHEMBL23734835 0.75 ESR2 (0.34) ESR2ESR1CYP3A4ALDH1A1LMNA
SCHEMBL22787118 0.73 ESR1 (0.33) ESR2ESR1CYP3A4LMNATYR
SCHEMBL15085274 0.73 ESR2 (0.50) ESR2ESR1CYP3A4ALDH1A1LMNA
SCHEMBL23734903 0.70 MIF (0.32) ESR2ESR1CYP3A4ALDH1A1ESRRG
SCHEMBL25009103 0.69 ESR1 (0.33) ESR2ESR1CYP3A4ALDH1A1

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-2020250732-A1 POLYCARBONATE RESIN 三菱瓦斯化学株式会社 2020-12-17 WO disclosed