SCHEMBL247530

SCHEMBL247530

CC(C)(C)OC(=O)N1C(=O)CC1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.54
KLK5 Q9Y337 7/20 0.50
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G5 P39877 1/20 0.43
STS P08842 1/20 0.43
ABCB1 P08183 1/20 0.43
RIPK1 Q13546 1/20 0.43
CETP P11597 1/20 0.42
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL3206265 0.90 KLK7 (0.50) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL19419776 0.88 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL3728443 0.88 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL15383781 0.88 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL6969013 0.85 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL29997809 0.85 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10386719 0.83 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10387738 0.83 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL7334611 0.83 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL29997836 0.82 KLK7 (0.50) KLK7KLK5PRSS1PRSS2PRSS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 WO disclosed
WO-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 WO disclosed