SCHEMBL8518225

SCHEMBL8518225

CC(C)(C)OC(=O)CN(CCBr)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.41
CTSK P43235 4/20 0.39
CTSS P25774 1/20 0.39
PRSS1 P07477 2/20 0.37
CTSG P08311 2/20 0.37
CTRB1 P17538 2/20 0.37
CMA1 P23946 2/20 0.37
TSHR P16473 1/20 0.36
CASR P41180 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GRIK1 P39086 1/20 0.34
GSTO1 P78417 1/20 0.34

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
SCHEMBL8518220 1.00 AKT1 (0.41) AKT1CTSKCTSSPRSS1CTSG
SCHEMBL7661604 0.92 AKT1 (0.40) AKT1CTSKCTSSPRSS1CTSG
SCHEMBL7661602 0.92 AKT1 (0.40) AKT1CTSKCTSSPRSS1CTSG
SCHEMBL8397586 0.88 AKT1 (0.43) AKT1CTSKCTSSGSTO1
SCHEMBL7656204 0.84 PPARA (0.46) AKT1CTSSL3MBTL1
SCHEMBL7601470 0.82 AKT1 (0.42) AKT1CTSKCTSS
SCHEMBL8579974 0.82 CTSK (0.40) AKT1CTSKCTSSTSHR
SCHEMBL6432521 0.79 PPARA (0.43) AKT1CTSSL3MBTL1
SCHEMBL8556956 0.78 CYP1A2 (0.36) AKT1CTSKCTSS
SCHEMBL8088177 0.77 ATM (0.39) CTSKCTSSTSHR

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-0915829-A1 DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY BRACCO S.p.A. (IT) 1999-05-19 EP disclosed
WO-1998005625-A1 DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY BRACCO S.P.A. (IT) 1998-02-12 WO disclosed