SCHEMBL9833378

SCHEMBL9833378

COC(=O)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.72
REN P00797 12/20 0.62
PSEN1 P49768 3/20 0.55
PSEN2 P49810 3/20 0.55
APH1B Q8WW43 3/20 0.55
NCSTN Q92542 3/20 0.55
APH1A Q96BI3 3/20 0.55
PSENEN Q9NZ42 3/20 0.55
APP P05067 1/20 0.54

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
SCHEMBL9482833 1.00 KLK5 (0.72) KLK5RENPSEN1PSEN2APH1B
SCHEMBL6873021 0.90 KLK5 (0.71) KLK5RENPSEN1PSEN2APH1B
SCHEMBL8787243 0.90 KLK5 (0.71) KLK5RENPSEN1PSEN2APH1B
SCHEMBL9815894 0.90 KLK5 (0.71) KLK5RENPSEN1PSEN2APH1B
SCHEMBL9832414 0.90 KLK5 (0.71) KLK5RENPSEN1PSEN2APH1B
SCHEMBL6653213 0.89 KLK5 (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL10606303 0.89 KLK5 (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL6876159 0.89 KLK5 (0.68) KLK5RENPSEN1PSEN2APH1B
SCHEMBL7392856 0.87 KLK5 (0.67) KLK5RENPSEN1PSEN2APH1B
SCHEMBL11020393 0.86 KLK5 (0.58) KLK5RENPSEN1PSEN2APH1B

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
US-5026642-A Process for the enzymatic production of ketones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-06-25 US disclosed