SCHEMBL9243269

SCHEMBL9243269

CC(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.69
NPSR1 Q6W5P4 1/20 0.62
KMT2A Q03164 2/20 0.61
TSHR P16473 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
GFER P55789 1/20 0.60
PREP P48147 2/20 0.60
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.58
MEN1 O00255 1/20 0.58
HSD17B10 Q99714 1/20 0.57
CTSK P43235 2/20 0.57
PRCP P42785 1/20 0.57
KDM1A O60341 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
CTSL P07711 1/20 0.56

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
SCHEMBL9243277 1.00 CTRB1 (0.69) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL31084237 1.00 CTRB1 (0.69) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL10952892 0.96 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL10952890 0.96 CTRB1 (0.64) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL10954651 0.92 CTRB1 (0.68) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL8248799 0.92 CTRB1 (0.73) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL8247594 0.92 CTRB1 (0.73) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL8395473 0.92 CTRB1 (0.73) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL27282358 0.91 CTRB1 (0.67) CTRB1NPSR1KMT2ATSHRL3MBTL1
SCHEMBL9564582 0.90 CTRB1 (0.70) CTRB1NPSR1KMT2ATSHRL3MBTL1

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-0415470-B1 Aminopeptidase DMV CAMPINA BV (NL) 1995-01-04 EP disclosed
EP-0415470-A2 Aminopeptidase CAMPINA MELKUNIE B.V. (NL) 1991-03-06 EP disclosed