SCHEMBL6945136

SCHEMBL6945136

COC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.68
PSEN1 P49768 7/20 0.57
PSEN2 P49810 7/20 0.57
APH1B Q8WW43 7/20 0.57
NCSTN Q92542 7/20 0.57
APH1A Q96BI3 7/20 0.57
PSENEN Q9NZ42 7/20 0.57
ATM Q13315 1/20 0.55
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ACE P12821 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
PYGL P06737 1/20 0.49
APP P05067 1/20 0.48

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
SCHEMBL6813547 1.00 KLK5 (0.68) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6945132 1.00 KLK5 (0.68) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6578313 0.90 KLK5 (0.59) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL1612669 0.90 KLK5 (0.59) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL3447452 0.89 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5650822 0.89 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL743357 0.89 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL15775826 0.89 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL288838 0.89 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7356486 0.89 KLK5 (0.61) KLK5PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP disclosed
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP disclosed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 EP disclosed