SCHEMBL8764535

SCHEMBL8764535

CSCC[C@H]([NH])C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
RNPEP Q9H4A4 1/20 0.37
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
FOLH1 Q04609 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.33
CA2 P00918 1/20 0.32
KLK7 P49862 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
SCHEMBL3736726 0.79 RNPEP (0.47) CTSSCTSKRNPEPNOS1NOS3
SCHEMBL3736721 0.79 RNPEP (0.47) CTSSCTSKRNPEPNOS1NOS3
SCHEMBL28302088 0.79 CTSS (0.42) CTSSCTSKRNPEPNOS1NOS3
SCHEMBL7157725 0.78 NOS1 (0.43) CTSSCTSKRNPEPNOS1NOS3
SCHEMBL5211511 0.78 NOS1 (0.43) CTSSCTSKRNPEPNOS1NOS3
SCHEMBL11119448 0.78 NOS1 (0.43) CTSSCTSKRNPEPNOS1NOS3
SCHEMBL18884298 0.78 CTSS (0.41) CTSSCTSKRNPEPNOS1NOS3
Hydrochloric Acid SCHEMBL5211496 0.76 NOS1 (0.42) CTSSCTSKRNPEPNOS1NOS3
Hydrochloric Acid SCHEMBL918798 0.76 NOS1 (0.42) CTSSCTSKRNPEPNOS1NOS3
SCHEMBL27863494 0.75 NOS1 (0.41) CTSSCTSKRNPEPNOS1NOS3

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-0784643-A1 PROCESS FOR EXTRACTING HETEROPOLYCOMPOUNDS FROM POLYETHERS, POLYESTERS AND POLYETHER ESTERS BASF AKTIENGESELLSCHAFT (DE) 1997-07-23 EP disclosed
WO-1996011222-A1 PROCESS FOR EXTRACTING HETEROPOLYCOMPOUNDS FROM POLYETHERS, POLYESTERS AND POLYETHER ESTERS BASF AKTIENGESELLSCHAFT (DE) 1996-04-18 WO disclosed