SCHEMBL11568520

SCHEMBL11568520

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NOCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.67
CTSK P43235 9/20 0.67
CTSB P07858 4/20 0.67
CTSL P07711 2/20 0.67
AKT1 P31749 1/20 0.58
ACE P12821 1/20 0.58
REN P00797 2/20 0.56
HDAC8 Q9BY41 1/20 0.55
ATM Q13315 1/20 0.53
BCL2 P10415 1/20 0.53

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
SCHEMBL20516385 0.89 CTSS (0.68) CTSSCTSKCTSBCTSLAKT1
SCHEMBL20516388 0.89 CTSS (0.68) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6161119 0.87 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1
SCHEMBL19513108 0.87 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3004471 0.86 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3004474 0.86 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5556757 0.86 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL11569657 0.85 CCKBR (0.62) CTSSCTSKCTSBCTSLREN
SCHEMBL20799203 0.85 CTSS (0.62) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6163823 0.84 CTSS (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172130-A α-AMINOACYL CONTAINING NEW PEPTIDES WITH GASTRIN EFFECTS AND A PROCESS FOR THE PREPARATION THEREOF RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1979-10-23 US disclosed