SCHEMBL23058713

SCHEMBL23058713

CCCCN(C(C)c1ccc(OC(C)(C)CO)cc1)[C@@H](C)CC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL23058738 0.80 PPARA (0.50)
SCHEMBL23058476 0.79 NPSR1 (0.36) GAANPSR1
SCHEMBL23058147 0.77 THRA (0.33)
SCHEMBL23058181 0.73 PDE2A (0.39)
SCHEMBL23058728 0.72 PDE2A (0.44)
SCHEMBL23058746 0.72 L3MBTL1 (0.44) GAAL3MBTL1
SCHEMBL23058148 0.72 MAPT (0.35)
SCHEMBL23058793 0.69 LMNA (0.38)
SCHEMBL23058742 0.68 FAAH (0.38) GAA
SCHEMBL21281427 0.65 SPHK2 (0.60)

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
WO-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 WO disclosed