SCHEMBL7815902

SCHEMBL7815902

CC(NC(=O)OCc1ccccc1)C(O)CN

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CTSS P25774 7/20 0.53
CTSL P07711 6/20 0.53
CTSK P43235 7/20 0.52
CTRB1 P17538 2/20 0.51
ELANE P08246 2/20 0.51
CTSB P07858 4/20 0.49
PRTN3 P24158 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
SCHEMBL7609348 1.00 ATM (0.54) ATMCTSSCTSLCTSKCTRB1
SCHEMBL7465551 1.00 ATM (0.54) ATMCTSSCTSLCTSKCTRB1
SCHEMBL14561268 0.87 ATM (0.56) ATMCTSSCTSLCTSKCTRB1
SCHEMBL10387100 0.86 ATM (0.54) ATMCTSSCTSLCTSKCTRB1
SCHEMBL6841165 0.85 CTSS (0.61) ATMCTSSCTSLCTSKCTRB1
SCHEMBL15691156 0.85 CTSS (0.61) ATMCTSSCTSLCTSKCTRB1
SCHEMBL2627372 0.84 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL1823462 0.84 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL15691158 0.84 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL856096 0.84 ATM (0.58) ATMCTSSCTSLCTSKCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 WO disclosed