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Sugi Predict / Compounds / SCHEMBL29299253

SCHEMBL29299253

SCHEMBL29299253

C[C@@]12CCc3ccc(O)cc3[C@@]1(C)CCC[C@]2(C)C(=O)NC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(N)ccc3CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 19/20 0.69
▸ NR1H3 Q13133 19/20 0.69
▸ SOD1 P00441 1/20 0.48

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
SCHEMBL20560970 0.89 NR1H2 (0.87) NR1H2NR1H3SOD1
SCHEMBL23962014 0.89 NR1H2 (0.87) NR1H2NR1H3SOD1
SCHEMBL24270940 0.89 NR1H2 (0.87) NR1H2NR1H3SOD1
SCHEMBL21569788 0.86 NR1H2 (0.53) NR1H2NR1H3SOD1
SCHEMBL21552174 0.84 NR1H2 (0.77) NR1H2NR1H3SOD1
SCHEMBL24270778 0.84 NR1H2 (0.77) NR1H2NR1H3SOD1
SCHEMBL20561399 0.83 NR1H2 (1.00) NR1H2NR1H3SOD1
SCHEMBL6316695 0.83 NR1H2 (1.00) NR1H2NR1H3SOD1
SCHEMBL24923492 0.83 NR1H2 (0.59) NR1H2NR1H3SOD1
SCHEMBL21569787 0.81 NR1H2 (0.46) 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