SCHEMBL29295612

SCHEMBL29295612

CC(C)(C)OC(=O)N1CC(=O)CCO[C@@H]1COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 3/20 0.42
▸ PARP1 P09874 1/20 0.40
▸ PPARA Q07869 1/20 0.37
▸ GHSR Q92847 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ NR1D1 P20393 1/20 0.36
▸ STS P08842 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL29295636 0.83 KLK7 (0.44) KLK7PARP1GHSRGAATHRB
SCHEMBL29295628 0.83 KLK7 (0.49) KLK7PARP1GHSRGAATHRB
SCHEMBL29295325 0.82 KLK7 (0.44) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL29295324 0.82 KLK7 (0.44) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL30987110 0.82 PARP1 (0.41) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL28795615 0.80 NR1D1 (0.46) KLK7PARP1PPARAGHSRNR1D1
SCHEMBL28795613 0.80 NR1D1 (0.46) KLK7PARP1PPARAGHSRNR1D1
SCHEMBL29007899 0.80 NR1D1 (0.46) KLK7PARP1PPARAGHSRNR1D1
SCHEMBL31048236 0.77 KLK7 (0.42) KLK7PARP1PPARAKLK5NR1D1
SCHEMBL29295326 0.77 KLK7 (0.48) KLK7PARP1GAATHRBSMN1; SMN2

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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