SCHEMBL29295326

SCHEMBL29295326

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 3/20 0.48
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KLK5 Q9Y337 2/20 0.40
▸ STS P08842 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ HCRTR2 O43614 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ NR1H2 P55055 2/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ YAP1 P46937 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL29295325 0.84 KLK7 (0.44) KLK7GAATHRBSMN1; SMN2KLK5
SCHEMBL29295324 0.84 KLK7 (0.44) KLK7GAATHRBSMN1; SMN2KLK5
SCHEMBL29295628 0.83 KLK7 (0.49) KLK7GAATHRBSMN1; SMN2STS
SCHEMBL30987068 0.82 JAK2 (0.47) KLK7GAATHRBSMN1; SMN2STS
SCHEMBL7301938 0.81 KLK7 (0.47) KLK7STSPARP1GPR119JAK2
SCHEMBL29295636 0.81 KLK7 (0.44) KLK7GAATHRBSMN1; SMN2KLK5
SCHEMBL7921496 0.80 KLK7 (0.47) KLK7STSPARP1GPR119JAK2
SCHEMBL7921498 0.80 KLK7 (0.47) KLK7STSPARP1GPR119JAK2
SCHEMBL31228493 0.78 KLK7 (0.46) KLK7SMN1; SMN2STSPARP1GPR119
SCHEMBL31228337 0.78 KLK7 (0.46) KLK7SMN1; SMN2STSPARP1GPR119

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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