Ether

Ether

SCHEMBL29201870

CCOCC.Cc1cc(C(C)(C)C)cc(O)c1O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
ESR2 Q92731 3/20 0.42
HTR1D P28221 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
HMGCR P04035 1/20 0.37
HTR1B P28222 1/20 0.37
POLB P06746 1/20 0.36
AR P10275 2/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL931756 0.86 ALDH1A1 (0.50) ESR1ESR2HTR1DALDH1A1HPGD
Ether SCHEMBL29201868 0.84 CYP1A2 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
Propionic Acid SCHEMBL28907475 0.80 ESR1 (0.45) ESR1ESR2HTR1DALDH1A1HPGD
Ether SCHEMBL6015485 0.76 ALDH1A1 (0.73) ESR1ESR2ALDH1A1HPGDALOX15
SCHEMBL3872595 0.75 GABRA1 (0.57) HTR1DALDH1A1HPGDALOX15HSD17B10
SCHEMBL201609 0.75 GABRA1 (0.57) ESR1ESR2HTR1DALDH1A1HPGD
SCHEMBL28119481 0.73 GABRA1 (0.55) ESR1ESR2HTR1DALDH1A1HPGD
Methane SCHEMBL27627234 0.73 GABRA1 (0.55) HTR1DALDH1A1HPGDALOX15HSD17B10
Ether SCHEMBL22804024 0.71 CA1 (0.67) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL10046766 0.71 CYP2C19 (0.51) ESR1ESR2HTR1DHPGDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964812-A Alkoxy magnesium particles, and corresponding catalyst solid component and catalyst system thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-117964813-A Solid catalyst component and catalyst system for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-117964814-A Ziegler-Natta solid catalyst component, catalyst and application thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed