SCHEMBL28101263

SCHEMBL28101263

CC(C)(c1ccccc1)c1cccc([O])c1C(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL778830 0.84 ESR1 (0.45) NR3C2ESR1ESR2ALDH1A1CYP3A4
SCHEMBL10634183 0.78 ESR1 (0.41) NR3C2ESR1ESR2ALDH1A1CYP3A4
SCHEMBL10633765 0.78 CRHBP (0.39) NR3C2ESR1ESR2ALDH1A1CYP3A4
SCHEMBL15105312 0.77 ALDH1A1 (0.39) NR3C2ESR1ESR2ALDH1A1CYP3A4
SCHEMBL11829661 0.77 ESR1 (0.39) NR3C2ESR1ESR2ALDH1A1CYP3A4
SCHEMBL4068917 0.77 ESR1 (0.39) NR3C2ESR1ESR2ALDH1A1CYP3A4
SCHEMBL982955 0.77 ESR1 (0.48) ESR1ESR2ALDH1A1CYP3A4MAPK1
Bicarbonate SCHEMBL17164627 0.77 ESR1 (0.44) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL11333419 0.77 ESR1 (0.36) NR3C2ESR1ESR2ALDH1A1CYP3A4
Bicarbonate SCHEMBL29789005 0.77 ESR1 (0.44) ESR1ESR2ALDH1A1CYP3A4MAPT

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
CN-105980892-A Laminate and image display device 日东电工株式会社 2016-09-28 CN disclosed