SCHEMBL22453262

SCHEMBL22453262

COC[C@@H]1CCCC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ FPR3 P25089 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ PREP P48147 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
SCHEMBL22452856 0.83 ALDH1A1 (0.33) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL24433847 0.83 ALDH1A1 (0.33) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL28662232 0.83 ALDH1A1 (0.33) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL17244158 0.82 CTSK (0.35) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL28674410 0.80 CTSK (0.37) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL22453424 0.80 CTSK (0.37) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL13606646 0.77 NR1H2 (0.41) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL19637550 0.77 NR1H2 (0.41) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL19959327 0.77 NR1H2 (0.41) CTSKCHRM2CHRM1CHRM3HPGD
SCHEMBL21275009 0.75 CHRM2 (0.36) CTSKCHRM2CHRM1CHRM3HPGD

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-2020188301-A1 HETEROCYCLYL(PHENYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2020-09-24 — — WO disclosed
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