SCHEMBL31553946

SCHEMBL31553946

CC1(C)OC(c2cnn(C3CC3)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ACHE P22303 3/20 0.32
▸ LRRK2 Q5S007 4/20 0.32
▸ MPO P05164 1/20 0.30
▸ RET P07949 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL28803589 0.91 LRRK2 (0.36) HCRTR1HCRTR2LRRK2
SCHEMBL31260499 0.90 GAA (0.37) PIK3CD
SCHEMBL31553951 0.87 PIM1 (0.36) HCRTR1HCRTR2LRRK2
SCHEMBL28345014 0.84 KDM5A (0.35) HCRTR1HCRTR2ACHE
SCHEMBL21585615 0.82 IRAK4 (0.34) HCRTR1HCRTR2LRRK2
SCHEMBL27951646 0.79 DDB1 (0.36) HCRTR1HCRTR2ACHE
SCHEMBL1473249 0.79 HDAC3 (0.35) —
Tert-Butyl Formate SCHEMBL27951649 0.78 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL28341902 0.74 DDB1 (0.41) RET
SCHEMBL16442366 0.72 KMT2A (0.34) HCRTR1HCRTR2

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-2025100970-A1 TNAP INHIBITORY COMPOUND AND USE THEREOF 주식회사 레드엔비아 2025-05-15 — — WO disclosed
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