SCHEMBL38662450

SCHEMBL38662450

COc1ccc([C@H]2COc3cc(O)ccc3C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.76
ESR2 Q92731 1/20 0.76
TTR P02766 1/20 0.76
ALOX15 P16050 7/20 0.74
ALOX12 P18054 7/20 0.74
ALOX15B O15296 3/20 0.58
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL12914761 1.00 ESR1 (0.76) ESR1ESR2TTRALOX15ALOX12
SCHEMBL31545514 0.92 ESR1 (0.72) ESR1ESR2TTRALOX15ALOX12
SCHEMBL19418881 0.89 ALOX15 (0.72) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL29467332 0.87 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL2002128 0.87 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL43648 0.87 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL677723 0.87 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
Aus-131 SCHEMBL43647 0.87 ESR2 (1.00) ESR1ESR2TTRALOX15ALOX12
SCHEMBL10562731 0.85 ALOX15 (1.00) ESR1ESR2TTRALOX15ALOX12
SCHEMBL31545730 0.85 ESR2 (0.83) ESR1ESR2TTRALOX15ALOX12

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-122055354-A Lipid compounds and related compositions and uses 波西达治疗公司 2026-05-15 CN disclosed