SCHEMBL29295083

SCHEMBL29295083

CN(C)C(=O)[C@@]1(C)CCCC2(C)c3cc(O)ccc3CCC21

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 18/20 0.73
▸ NR1H3 Q13133 18/20 0.73
▸ SOD1 P00441 1/20 0.60
▸ POLA1 P09884 1/20 0.56

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
SCHEMBL29295121 0.87 NR1H2 (0.56) NR1H2NR1H3SOD1POLA1
Podocaric Acid SCHEMBL14389445 0.86 NR1H2 (0.80) NR1H2NR1H3SOD1POLA1
Podocaric Acid SCHEMBL160062 0.86 NR1H2 (0.80) NR1H2NR1H3SOD1POLA1
Podocaric Acid SCHEMBL32474685 0.86 NR1H2 (0.80) NR1H2NR1H3SOD1POLA1
Podocaric Acid SCHEMBL6311820 0.86 NR1H2 (0.80) NR1H2NR1H3SOD1POLA1
Podocaric Acid SCHEMBL31181390 0.86 NR1H2 (0.80) NR1H2NR1H3SOD1POLA1
Podocaric Acid SCHEMBL6312979 0.85 NR1H2 (0.78) NR1H2NR1H3SOD1POLA1
SCHEMBL20561234 0.85 NR1H2 (0.76) NR1H2NR1H3SOD1
SCHEMBL2993726 0.85 NR1H2 (0.76) NR1H2NR1H3SOD1
SCHEMBL6312669 0.84 NR1H2 (1.00) NR1H2NR1H3SOD1POLA1

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
EP-3883926-B1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS REGENERON PHARMA (US) 2024-07-10 — — EP disclosed
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