SCHEMBL29292403

SCHEMBL29292403

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 19/20 0.62
▸ NR1H3 Q13133 19/20 0.62
▸ SOD1 P00441 1/20 0.45

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
SCHEMBL30367106 0.90 NR1H2 (0.77) NR1H2NR1H3SOD1
SCHEMBL22224214 0.90 NR1H2 (0.77) NR1H2NR1H3SOD1
SCHEMBL27944641 0.90 NR1H2 (0.77) NR1H2NR1H3SOD1
SCHEMBL29295646 0.85 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL23962303 0.83 NR1H2 (0.74) NR1H2NR1H3SOD1
SCHEMBL24270718 0.83 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL20561737 0.82 NR1H2 (0.76) NR1H2NR1H3SOD1
SCHEMBL20561827 0.81 NR1H2 (0.74) NR1H2NR1H3SOD1
SCHEMBL31678824 0.81 NR1H2 (0.74) NR1H2NR1H3SOD1
SCHEMBL20561204 0.81 NR1H2 (0.84) NR1H2NR1H3SOD1

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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