SCHEMBL29612502

SCHEMBL29612502

COc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1C1(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
LPL P06858 9/20 0.34
LIPG Q9Y5X9 9/20 0.34
BACE1 P56817 1/20 0.33
CSF1R P07333 1/20 0.33
ROCK1 Q13464 1/20 0.32
EGFR P00533 1/20 0.32
ESR2 Q92731 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL24668140 1.00 SNCA (0.41) SNCAIRAK4CYP11B1CYP11B2IDO1
SCHEMBL29729476 0.86 SNCA (0.38) SNCAIRAK4IDO1TDO2LPL
SCHEMBL23062820 0.82 SNCA (0.44) SNCAIRAK4IDO1TDO2LPL
SCHEMBL29612564 0.81 SNCA (0.41) SNCAIRAK4IDO1TDO2LPL
SCHEMBL19836331 0.81 SNCA (0.41) SNCAIRAK4IDO1TDO2LPL
SCHEMBL23042340 0.80 SNCA (0.40) SNCAIRAK4CYP11B1CYP11B2IDO1
SCHEMBL23042579 0.79 SNCA (0.41) SNCAIRAK4IDO1TDO2LPL
SCHEMBL23062845 0.77 MEN1 (0.40) CYP11B1CYP11B2
SCHEMBL23042321 0.77 CYP11B1 (0.38) CYP11B1CYP11B2ESR2
SCHEMBL23068088 0.75 IRAK4 (0.40) SNCAIRAK4IDO1TDO2LPL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301357-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2024-01-10 EP disclosed
WO-2022187403-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS TERNS PHARMACEUTICALS, INC. (US) 2022-09-09 WO disclosed
EP-4017875-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2022-06-29 EP disclosed
CN-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed