SCHEMBL29295337

SCHEMBL29295337

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.49
▸ NR1H3 Q13133 13/20 0.49
▸ POLA1 P09884 4/20 0.46
▸ PDE4D Q08499 1/20 0.43
▸ SOD1 P00441 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ KARS1 Q15046 1/20 0.41

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
SCHEMBL29292359 0.91 NR1H2 (0.43) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569769 0.91 NR1H2 (0.42) NR1H2NR1H3POLA1PDE4D
SCHEMBL21552202 0.89 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL29295347 0.89 NR1H2 (0.61) NR1H2NR1H3POLA1
SCHEMBL29296723 0.84 NR1H2 (0.43) NR1H2NR1H3POLA1PDE4D
SCHEMBL29292396 0.84 NR1H2 (0.42) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569826 0.83 NR1H2 (0.41) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295583 0.83 NR1H2 (0.63) NR1H2NR1H3SOD1
SCHEMBL21569998 0.83 NR1H2 (0.45) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295646 0.82 NR1H2 (0.50) 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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