SCHEMBL29292380

SCHEMBL29292380

CN(C(=O)C1CCCC2(C)c3cc(NC(=O)CN)ccc3CCC12)C(=O)[C@@]1(C)CCCC2(C)c3cc(NC(=O)CCCC(=O)O)ccc3CCC21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.42
▸ NR1H3 Q13133 11/20 0.42
▸ POLA1 P09884 4/20 0.41
▸ PDE4D Q08499 1/20 0.38
▸ KARS1 Q15046 2/20 0.37
▸ RXRA P19793 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 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
SCHEMBL29292359 0.90 NR1H2 (0.43) NR1H2NR1H3POLA1PDE4D
SCHEMBL29292384 0.90 NR1H2 (0.39) NR1H2NR1H3POLA1PDE4DKARS1
SCHEMBL29296723 0.84 NR1H2 (0.43) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295337 0.81 NR1H2 (0.49) NR1H2NR1H3POLA1PDE4DKARS1
SCHEMBL29295648 0.81 NR1H2 (0.35) NR1H2NR1H3POLA1KARS1
SCHEMBL21569998 0.81 NR1H2 (0.45) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295657 0.78 KMT2A (0.39) NR1H2NR1H3POLA1POLB
SCHEMBL29295646 0.77 NR1H2 (0.50) NR1H2NR1H3POLA1PDE4D
SCHEMBL29295301 0.77 NR1H2 (0.50) NR1H2NR1H3POLA1
SCHEMBL21569831 0.76 NR1H2 (0.37) NR1H2NR1H3POLA1PDE4DKARS1

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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