SCHEMBL29295272

SCHEMBL29295272

COC(=O)[C@@]1(C)CCCC2(C)c3cc(O)ccc3CCC21

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.85
▸ NR1H2 P55055 15/20 0.84
▸ NR1H3 Q13133 15/20 0.84
▸ POLA1 P09884 4/20 0.64

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
SCHEMBL24270695 1.00 SOD1 (0.85) SOD1NR1H2NR1H3POLA1
SCHEMBL20561073 1.00 SOD1 (0.85) SOD1NR1H2NR1H3POLA1
SCHEMBL29493568 1.00 SOD1 (0.85) SOD1NR1H2NR1H3POLA1
SCHEMBL20561070 1.00 SOD1 (0.85) SOD1NR1H2NR1H3POLA1
SCHEMBL30427212 1.00 SOD1 (0.85) SOD1NR1H2NR1H3POLA1
SCHEMBL6312666 0.92 NR1H2 (1.00) SOD1NR1H2NR1H3POLA1
SCHEMBL6312669 0.92 NR1H2 (1.00) SOD1NR1H2NR1H3POLA1
SCHEMBL20561396 0.92 NR1H2 (1.00) SOD1NR1H2NR1H3POLA1
SCHEMBL7767289 0.87 POLA1 (0.81) SOD1NR1H2NR1H3POLA1
SCHEMBL24177920 0.87 POLA1 (0.81) SOD1NR1H2NR1H3POLA1

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
Send feedback