SCHEMBL29295121

SCHEMBL29295121

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.56
▸ NR1H3 Q13133 11/20 0.56
▸ POLA1 P09884 4/20 0.55
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ SOD1 P00441 1/20 0.48
▸ RXRA P19793 1/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ RXRG P48443 1/20 0.48
▸ KARS1 Q15046 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
SCHEMBL29295083 0.87 NR1H2 (0.73) NR1H2NR1H3POLA1SOD1
SCHEMBL24591989 0.87 NR1H2 (0.62) NR1H2NR1H3POLA1LMNACYP3A4
SCHEMBL20561119 0.87 POLA1 (0.71) NR1H2NR1H3POLA1LMNACYP3A4
SCHEMBL21569919 0.87 NR1H2 (0.62) NR1H2NR1H3POLA1LMNACYP3A4
SCHEMBL2986350 0.87 LMNA (0.65) NR1H2NR1H3POLA1LMNACYP3A4
SCHEMBL21552174 0.85 NR1H2 (0.77) NR1H2NR1H3POLA1SOD1
SCHEMBL24591823 0.84 SOD1 (0.69) NR1H2NR1H3POLA1CYP3A4SOD1
SCHEMBL21569787 0.82 NR1H2 (0.46) NR1H2NR1H3POLA1LMNACYP3A4
SCHEMBL29295337 0.81 NR1H2 (0.49) NR1H2NR1H3POLA1PDE4DSOD1
Trifluoroacetic Acid SCHEMBL21552217 0.81 POLA1 (0.63) NR1H2NR1H3POLA1LMNACYP3A4

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