SCHEMBL29295636

SCHEMBL29295636

CC(C)(C)OC(=O)N1CCC(=O)CO[C@@H]1COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ GHSR Q92847 5/20 0.40
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ STS P08842 1/20 0.37
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL29295612 0.83 KLK7 (0.42) KLK7PARP1GHSRGAATHRB
SCHEMBL29295628 0.83 KLK7 (0.49) KLK7PARP1GHSRGAATHRB
SCHEMBL30987191 0.82 PARP1 (0.44) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL29295326 0.81 KLK7 (0.48) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL29295324 0.78 KLK7 (0.44) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL29295325 0.78 KLK7 (0.44) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL28549464 0.76 PARP1 (0.46) KLK7PARP1STSNR1H2NR1H3
SCHEMBL28795613 0.76 NR1D1 (0.46) KLK7PARP1GHSRSTSNR1H2
SCHEMBL29007899 0.76 NR1D1 (0.46) KLK7PARP1GHSRSTSNR1H2
SCHEMBL28795615 0.76 NR1D1 (0.46) KLK7PARP1GHSRSTSNR1H2

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-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 — — WO disclosed
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