SCHEMBL9227553

SCHEMBL9227553

CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.62
CTSK P43235 8/20 0.56
CTSS P25774 7/20 0.56
MAPT P10636 1/20 0.55
CTSL P07711 3/20 0.55
CTSB P07858 3/20 0.55
AKT1 P31749 1/20 0.53
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
PPARA Q07869 1/20 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
SCHEMBL30967604 0.92 SYK (0.58) SYKCTSKCTSSMAPTCTSL
SCHEMBL19934131 0.92 SYK (0.61) SYKCTSKCTSSMAPTCTSL
SCHEMBL27696907 0.90 CTSS (0.57) SYKCTSKCTSSMAPTCTSL
SCHEMBL6241676 0.89 SYK (0.61) SYKCTSKCTSSMAPTCTSL
SCHEMBL25022113 0.89 SYK (0.57) SYKMAPT
SCHEMBL30902907 0.88 MAPT (0.65) CTSKCTSSMAPTKLK7KLK5
SCHEMBL20364114 0.88 LMNA (0.57) SYKCTSKCTSSMAPTCTSL
SCHEMBL5044640 0.88 SYK (0.60) SYKCTSKCTSSMAPTCTSL
SCHEMBL6482274 0.88 CTSS (0.66) SYKCTSKCTSSCTSLCTSB
SCHEMBL17841824 0.87 SYK (0.65) SYKCTSKCTSSMAPTCTSL

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-0355041-B1 Complex porphyrine compounds substituted in position 13,17 by propionic acid and propionic-acid derivatives, process for their preparation and pharmaceutical compositions containing same SCHERING AG (DE) 1995-09-20 EP disclosed
US-5275801-A X-ray and magnetic resonance imaging of tumors SCHERING AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
EP-0355041-A2 Complex porphyrine compounds substituted in position 13,17 by propionic acid and propionic-acid derivatives, process for their preparation and pharmaceutical compositions containing same SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-21 EP disclosed