SCHEMBL10937293

SCHEMBL10937293

CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.71
TSHR P16473 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.58
CTSK P43235 2/20 0.58
CTSL P07711 1/20 0.58
TP53 P04637 1/20 0.58
MEN1 O00255 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GFER P55789 1/20 0.57
PRCP P42785 1/20 0.57
PREP P48147 1/20 0.57
HSD17B10 Q99714 1/20 0.55
KDM1A O60341 1/20 0.54
RCOR1 Q9UKL0 1/20 0.54
CYP3A4 P08684 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
SCHEMBL10937505 1.00 CTRB1 (0.71) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL27369851 0.94 CTRB1 (0.77) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL10938140 0.90 CTRB1 (0.69) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL10938824 0.90 CTRB1 (0.69) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL10934560 0.87 CTRB1 (0.68) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL12234861 0.87 CTRB1 (0.68) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL10940771 0.87 CTRB1 (0.68) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL8248799 0.87 CTRB1 (0.73) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL8395473 0.87 CTRB1 (0.73) CTRB1TSHRL3MBTL1NPSR1KDM4E
SCHEMBL8247594 0.87 CTRB1 (0.73) CTRB1TSHRL3MBTL1NPSR1KDM4E

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-4511390-A STIMULANT OF NUTRIENT UPTAKE IN PLANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed