SCHEMBL29295628

SCHEMBL29295628

CC(C)(C)OC(=O)N1CCCCO[C@@H]1COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.49
▸ PARP1 P09874 1/20 0.43
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ GHSR Q92847 2/20 0.40
▸ PREP P48147 1/20 0.40
▸ FKBP1A P62942 2/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ UCHL1 P09936 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ DAGLA Q9Y4D2 1/20 0.39
▸ CTSL P07711 1/20 0.39

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
SCHEMBL29295324 0.84 KLK7 (0.44) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL29295325 0.84 KLK7 (0.44) KLK7PARP1GAATHRBSMN1; SMN2
SCHEMBL29295612 0.83 KLK7 (0.42) KLK7PARP1GHSRDPP4GAA
SCHEMBL29295326 0.83 KLK7 (0.48) KLK7PARP1DPP4GAATHRB
SCHEMBL29295636 0.83 KLK7 (0.44) KLK7PARP1GHSRGAATHRB
SCHEMBL6610814 0.81 DAGLA (0.54) KLK7PARP1FKBP1ADPP4MEN1
SCHEMBL20129716 0.81 DAGLA (0.54) KLK7PARP1FKBP1ADPP4MEN1
SCHEMBL20014393 0.81 KLK7 (0.47) KLK7PARP1MMP1MMP3MMP9
SCHEMBL7908488 0.80 KLK7 (0.52) KLK7PARP1FKBP1ADPP4MEN1
SCHEMBL4664791 0.80 KLK7 (0.52) KLK7PARP1FKBP1ADPP4MEN1

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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