SCHEMBL21569814

SCHEMBL21569814

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)[C@@H](N)CC(=O)O)ccc3CC[C@@]12C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 8/20 0.39
▸ NR1H3 Q13133 8/20 0.39
▸ POLA1 P09884 4/20 0.38
▸ RXRA P19793 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ KARS1 Q15046 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MMP3 P08254 5/20 0.35
▸ MMP9 P14780 5/20 0.35
▸ MMP8 P22894 5/20 0.35

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
SCHEMBL21569815 0.93 NR1H2 (0.38) NR1H2NR1H3POLA1RXRACCNE1
SCHEMBL21569768 0.93 NR1H2 (0.40) NR1H2NR1H3POLA1RXRACCNE1
SCHEMBL29292353 0.91 NR1H2 (0.41) NR1H2NR1H3POLA1RXRACCNE1
SCHEMBL21569770 0.90 NR1H2 (0.37) NR1H2NR1H3POLA1RXRACCNE1
SCHEMBL29292388 0.90 NR1H2 (0.40) NR1H2NR1H3POLA1RXRACCNE1
SCHEMBL29292362 0.89 TDP1 (0.37) NR1H2NR1H3POLA1KARS1MMP3
SCHEMBL29292396 0.89 NR1H2 (0.42) NR1H2NR1H3POLA1PDE4D
SCHEMBL21569828 0.89 NR1H2 (0.35) NR1H2NR1H3POLA1RXRACCNE1
SCHEMBL21569925 0.88 NR1H2 (0.37) NR1H2NR1H3POLA1RXRACCNE1
SCHEMBL21570045 0.88 NR1H2 (0.39) NR1H2NR1H3POLA1MMP3MMP9

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 2 patents. 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
WO-2019217591-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-11-14 — — WO disclosed
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