SCHEMBL29295646

SCHEMBL29295646

CC12CCCC(C(=O)NC(=O)[C@@]3(C)CCCC4(C)c5cc(NC(=O)CN)ccc5CCC43)C1CCc1ccc(N)cc12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 17/20 0.50
▸ NR1H3 Q13133 17/20 0.50
▸ POLA1 P09884 2/20 0.41
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL21552202 0.90 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL29295347 0.90 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL29292359 0.87 NR1H2 (0.43) NR1H2NR1H3POLA1PDE4D
SCHEMBL29292403 0.85 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL21569998 0.85 NR1H2 (0.45) NR1H2NR1H3POLA1PDE4D
SCHEMBL24591813 0.83 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL29292394 0.83 NR1H2 (0.36) NR1H2NR1H3POLA1
SCHEMBL24591709 0.83 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL27954308 0.83 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL31097933 0.83 NR1H2 (0.63) 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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