SCHEMBL21950806

SCHEMBL21950806

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.59
CTSK P43235 5/20 0.59
CTSB P07858 3/20 0.59
CTSL P07711 1/20 0.59
HDAC8 Q9BY41 1/20 0.55
F2 P00734 5/20 0.53
PLAU P00749 5/20 0.53
PLAT P00750 5/20 0.53
AKT1 P31749 1/20 0.53
ACE P12821 1/20 0.52
PLG P00747 4/20 0.51
REN P00797 2/20 0.51

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
SCHEMBL21950823 0.85 PLAU (0.57) F2PLAUPLATPLG
SCHEMBL11126448 0.81 BCL2 (0.59) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL29484189 0.80 ACE (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10050068 0.80 ACE (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL30688549 0.80 ACE (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2367371 0.80 ACE (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL9551322 0.80 ACE (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21219305 0.80 ACE (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL15671562 0.80 ACE (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL16999951 0.80 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1

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-3653215-A1 THERANOSTIC INHIBITORS AND ACTIVITY-BASED PROBES FOR THE KLK7 PROTEASE University of Patras (GR) 2020-05-20 EP claimed
EP-3653215-A1 THERANOSTIC INHIBITORS AND ACTIVITY-BASED PROBES FOR THE KLK7 PROTEASE University of Patras (GR) 2020-05-20 EP disclosed