SCHEMBL7429956

SCHEMBL7429956

CC(C)(C)OC(=O)NCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.63
MAPT P10636 2/20 0.55
KLK7 P49862 1/20 0.54
KLK5 Q9Y337 1/20 0.54
CTSS P25774 4/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
CTSK P43235 4/20 0.51
PPARA Q07869 1/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
IDO1 P14902 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL16274170 1.00 SYK (0.63) SYKMAPTKLK7KLK5CTSS
SCHEMBL14561127 0.94 SYK (0.61) SYKMAPTKLK7KLK5CTSS
SCHEMBL1021719 0.93 SYK (0.63) SYKMAPTKLK7KLK5CTSS
SCHEMBL5441822 0.93 SYK (0.63) SYKMAPTKLK7KLK5CTSS
SCHEMBL1197897 0.93 SYK (0.63) SYKMAPTKLK7KLK5CTSS
SCHEMBL17882090 0.92 SYK (0.57) SYKMAPTKLK7KLK5CTSS
SCHEMBL27497192 0.92 KLK7 (0.63) SYKMAPTKLK7KLK5POLB
SCHEMBL30544856 0.92 KLK7 (0.63) SYKMAPTKLK7KLK5POLB
SCHEMBL16269962 0.92 SYK (0.58) SYKMAPTKLK7KLK5CTSS
SCHEMBL23574171 0.91 SYK (0.60) SYKMAPTKLK7KLK5CTSS

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
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed