SCHEMBL8560140

SCHEMBL8560140

C[C@H](C=O)NC(=O)[C@H](N)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.45
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
DPP4 P27487 6/20 0.35
DPP8 Q6V1X1 5/20 0.35
DPP9 Q86TI2 5/20 0.35
SLC15A1 P46059 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
GLS O94925 1/20 0.32
DPP7 Q9UHL4 3/20 0.32
FUCA1 P04066 1/20 0.31
ESR1 P03372 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
NPY1R P25929 1/20 0.31
PTGS2 P35354 1/20 0.31
OPRD1 P41143 1/20 0.31
MTOR P42345 1/20 0.31
HK2 P52789 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1031741 1.00 PAX8 (0.45) PAX8PDCD1LG2CD274DPP4DPP8
SCHEMBL18888162 0.91 PAX8 (0.40) PAX8PDCD1LG2CD274DPP4DPP8
SCHEMBL10067240 0.84 DPP9 (0.44) PAX8DPP4DPP8DPP9SLC15A1
SCHEMBL2739683 0.84 DPP9 (0.44) PAX8DPP4DPP8DPP9SLC15A1
SCHEMBL2739682 0.84 DPP9 (0.44) PAX8DPP4DPP8DPP9SLC15A1
SCHEMBL25587465 0.82 SLC7A5 (0.47) PAX8KDM4E
SCHEMBL16421636 0.82 PAX8 (0.37) PAX8DPP4DPP8DPP9SLC15A1
SCHEMBL1035793 0.81 PAX8 (0.42) PAX8PDCD1LG2CD274DPP4DPP8
SCHEMBL13333785 0.79 PAX8 (0.45) PAX8PDCD1LG2CD274DPP4DPP8
SCHEMBL19650493 0.79 PAX8 (0.40) PAX8ALDH1A1CYP3A4CYP2C9HSD17B10

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-0819135-A1 SUGAR-MODIFIED CYTOSTATICS BAYER AG (DE) 1998-01-21 EP disclosed
WO-1996031532-A1 SUGAR-MODIFIED CYTOSTATICS BAYER AKTIENGESELLSCHAFT (DE) 1996-10-10 WO disclosed