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SCHEMBL29292396

SCHEMBL29292396

CN(C(=O)[C@@]1(C)CCC[C@]2(C)c3cc(N)ccc3CC[C@@H]12)C(=O)[C@@]1(C)CCC[C@]2(C)c3cc(NC(=O)CO)ccc3CC[C@@]12C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 15/20 0.42
▸ NR1H3 Q13133 15/20 0.42
▸ POLA1 P09884 4/20 0.39
▸ PDE4D Q08499 1/20 0.37

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
SCHEMBL21569769 0.94 NR1H2 (0.42) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569826 0.93 NR1H2 (0.41) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569768 0.92 NR1H2 (0.40) NR1H2NR1H3POLA1PDE4D
SCHEMBL29292353 0.91 NR1H2 (0.41) NR1H2NR1H3POLA1PDE4D
SCHEMBL21570045 0.90 NR1H2 (0.39) NR1H2NR1H3POLA1
SCHEMBL21570035 0.90 NR1H2 (0.42) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569787 0.90 NR1H2 (0.46) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569814 0.89 NR1H2 (0.39) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569815 0.88 NR1H2 (0.38) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569770 0.87 NR1H2 (0.37) NR1H2NR1H3POLA1PDE4D

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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