SCHEMBL28539199

SCHEMBL28539199

Cc1cc(C(c2ccccc2)(c2ccccc2)c2cc(C)c(OCCO)c(-c3ccccc3)c2)cc(-c2ccccc2)c1OCCO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
BACE1 P56817 2/20 0.38
SCN8A Q9UQD0 1/20 0.36
ESR2 Q92731 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
HTR1A P08908 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACSS2 Q9NR19 2/20 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
SCHEMBL28546492 0.91 ALDH1A1 (0.44) ALDH1A1RECQLBACE1PTGDR2PDE4A
SCHEMBL26612973 0.78 ALDH1A1 (0.44) ALDH1A1RECQLBACE1SCN8APTGDR2
SCHEMBL11647561 0.77 MEN1 (0.48) ALDH1A1RECQLMEN1KMT2AACSS2
SCHEMBL5498995 0.77 ESR1 (0.47) ALDH1A1RECQLSCN8AESR2HTR1A
SCHEMBL7112190 0.76 ALDH1A1 (0.48) ALDH1A1RECQLSCN8AESR2HTR1A
SCHEMBL28524798 0.76 PTGDR2 (0.52) ALDH1A1RECQLPTGDR2MEN1KMT2A
SCHEMBL28543108 0.74 PTGDR2 (0.39) ALDH1A1RECQLBACE1ESR2PTGDR2
SCHEMBL8201459 0.72 HTR1A (0.43) ALDH1A1HTR1AKMT2A
SCHEMBL21847090 0.71 ALDH1A1 (0.67) ALDH1A1RECQLMEN1KMT2AACSS2
SCHEMBL346390 0.71 ALDH1A1 (0.67) ALDH1A1RECQLMEN1KMT2AACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458817-B Novel bis (hydroxyalkoxyphenyl) diphenylmethanes 本州化学工业株式会社 2021-03-16 CN claimed
CN-106458817-B Novel bis (hydroxyalkoxyphenyl) diphenylmethanes 本州化学工业株式会社 2021-03-16 CN disclosed