SCHEMBL30288151

SCHEMBL30288151

Cc1cc(C(CC(C)(C)C)C(=O)OCCOCCOCCOC(=O)C(CC(C)(C)C)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ESR1 P03372 9/20 0.35
ROCK2 O75116 1/20 0.34
SERPINE1 P05121 1/20 0.34
ESR2 Q92731 4/20 0.33
AR P10275 2/20 0.33
ESRRG P62508 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
TYR P14679 1/20 0.32
EGFR P00533 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
SCHEMBL2139698 1.00 KDM4E (0.36) KDM4EESR1ROCK2SERPINE1ESR2
SCHEMBL5342890 0.96 ESR1 (0.38) ESR1ROCK2ESR2ARESRRG
SCHEMBL25308528 0.85 ESR1 (0.44) ESR1ESR2
SCHEMBL28429166 0.85 ESR1 (0.44) ESR1ESR2
SCHEMBL1292190 0.85 ESR1 (0.42) ESR1ROCK2ESR2ARESRRG
Triethylene Glycol SCHEMBL1007368 0.84 ADRB2 (0.37) ESR1ROCK2ESR2ARNR3C1
SCHEMBL29856143 0.81 ESR1 (0.41) KDM4EESR1SERPINE1ESR2AR
SCHEMBL8464568 0.80 ESR1 (0.41) KDM4EESR1ROCK2ESR2AR
SCHEMBL28429168 0.77 LMNA (0.46) ESR1ESR2AR
SCHEMBL28853653 0.75 ATM (0.43) TYR

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-111386301-B Tubular integrally molded article and method for manufacturing tubular integrally molded article 东丽株式会社 2023-04-04 CN disclosed