SCHEMBL8203294

SCHEMBL8203294

NC(=NC(=O)OCc1ccccc1)N(CCCC(NC(=O)OCc1ccccc1)C(O)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
KLK8 O60259 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLK1 P06870 1/20 0.39
KLK4 Q9Y5K2 1/20 0.39
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
ATM Q13315 1/20 0.38
PSMB1 P20618 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CTRB1 P17538 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL29398620 0.87 CTSL (0.51) CTSLITGB3ITGA2BSIRT2
SCHEMBL7355009 0.87 CTSL (0.51) CTSLITGB3ITGA2BSIRT2
SCHEMBL6827318 0.84 CTSL (0.39) CTSL
SCHEMBL8216035 0.83 CTSL (0.49) CTSLITGB3ITGA2BSIRT2
SCHEMBL8209997 0.82 CTSL (0.39) CTSLKLK8F2PLGPLAU
SCHEMBL989683 0.81 CCR6 (0.45) PLAU
SCHEMBL570911 0.80 CCR6 (0.36) CTSLPLAU
SCHEMBL12503505 0.80 CCR6 (0.36) CTSLPLAU
SCHEMBL7359299 0.78 HTT (0.44) CTSL
SCHEMBL7355382 0.78 HTT (0.43) PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916888-A Imidazo 1,5A!pyridine derived serine protease inhibitors AKZO NOBEL, N.V. (NL) 1999-06-29 US claimed
EP-0830371-B1 IMIDAZO(1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS AKZO NOBEL NV (NL) 2000-12-20 EP disclosed
US-5916888-A Imidazo 1,5A!pyridine derived serine protease inhibitors AKZO NOBEL, N.V. (NL) 1999-06-29 US disclosed
EP-0830371-A1 IMIDAZO 1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 1998-03-25 EP disclosed
WO-1996038470-A1 IMIDAZO[1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1996-12-05 WO disclosed