SCHEMBL5771343

SCHEMBL5771343

CC(NC(=O)OCc1ccccc1)ONC(=N)N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CTSK P43235 4/20 0.50
ELANE P08246 1/20 0.49
CTRB1 P17538 2/20 0.49
CTSS P25774 4/20 0.48
CTSL P07711 3/20 0.48
F2 P00734 2/20 0.47
PLG P00747 2/20 0.47
PLAU P00749 2/20 0.47
PLAT P00750 2/20 0.47
KLK8 O60259 1/20 0.47
F10 P00742 1/20 0.47
KLK4 Q9Y5K2 1/20 0.47
CTSB P07858 2/20 0.47
ECE1 P42892 1/20 0.47

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
SCHEMBL591895 0.81 CTSK (0.59) ATMCTSKELANECTRB1CTSS
SCHEMBL2627373 0.81 CTSK (0.59) ATMCTSKELANECTRB1CTSS
SCHEMBL591894 0.81 CTSK (0.59) ATMCTSKELANECTRB1CTSS
SCHEMBL7372298 0.81 ATM (0.61) ATMCTSKELANECTRB1CTSS
SCHEMBL9619638 0.79 ATM (0.56) ATMCTSKELANECTRB1CTSS
Acetic Acid SCHEMBL31502286 0.79 CTSK (0.56) ATMCTSKELANECTRB1CTSS
SCHEMBL7305552 0.79 ECE1 (0.64) ATMCTSKELANECTSSCTSL
SCHEMBL13973861 0.79 ECE1 (0.64) ATMCTSKELANECTSSCTSL
SCHEMBL7331078 0.79 ECE1 (0.64) ATMCTSKELANECTSSCTSL
SCHEMBL16492790 0.78 ATM (0.52) ATMCTSKELANECTRB1CTSS

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
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed