SCHEMBL7688519

SCHEMBL7688519

NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.57
CASP1 P29466 6/20 0.54
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54
CTSK P43235 3/20 0.53
TACR1 P25103 2/20 0.53
PSMB8 P28062 1/20 0.53
PSMB5 P28074 1/20 0.53
CTRB1 P17538 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
IDO1 P14902 1/20 0.52

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
SCHEMBL8078067 0.93 PSMB1 (0.56) PSMB1CASP1MMEECE1CTSK
SCHEMBL7742845 0.92 PSMB1 (0.56) PSMB1CASP1MMEECE1CTSK
SCHEMBL7742003 0.92 PSMB1 (0.56) PSMB1CASP1MMEECE1CTSK
SCHEMBL7736831 0.92 KYNU (0.60) PSMB1CASP1MMEECE1CTSK
SCHEMBL5181237 0.92 KYNU (0.60) PSMB1CASP1MMEECE1CTSK
SCHEMBL1491365 0.91 MME (0.62) PSMB1CASP1MMEECE1CTSK
SCHEMBL722757 0.91 MME (0.62) PSMB1CASP1MMEECE1CTSK
SCHEMBL3569541 0.91 MME (0.62) PSMB1CASP1MMEECE1CTSK
SCHEMBL8955765 0.91 CTSL (0.57) PSMB1CASP1MMEECE1CTSK
SCHEMBL4280674 0.88 CASP1 (0.67) CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017684-B1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AG (DE) 2002-11-20 EP disclosed
EP-1017684-A1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-12 EP disclosed
US-6083479-A Contrast media for infarction and necrosis imaging SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-04 US disclosed
WO-1999016757-A1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1999-04-08 WO disclosed
EP-0129163-B1 ARPHAMENINE AND ITS RELATED COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-09-16 EP disclosed
EP-0129163-A1 Arphamenine and its related compounds, a process for their preparation and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1984-12-27 EP disclosed