SCHEMBL7271807

SCHEMBL7271807

CC(C)[C@](CNC(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
CTSK P43235 9/20 0.41
CTSS P25774 8/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL17498475 0.80 TDP1 (0.40) KMT2AMEN1GAACTSKCTSS
SCHEMBL27904493 0.77 MEN1 (0.45) KMT2AMEN1GAACTSKCTSS
SCHEMBL16906203 0.76 TDP1 (0.48) KMT2AMEN1GAACTSKCTSS
SCHEMBL1444341 0.74 MEN1 (0.49) KMT2AMEN1GAACTSKCTSS
SCHEMBL22624247 0.74 MEN1 (0.49) KMT2AMEN1GAACTSKCTSS
SCHEMBL14776705 0.74 MEN1 (0.49) KMT2AMEN1GAACTSKCTSS
SCHEMBL23367183 0.74 MAOA (0.38) KMT2AMEN1GAACTSKCTSS
SCHEMBL18428466 0.74 CTSS (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL28136601 0.74 CTSS (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL17627335 0.73 CTSK (0.40) KMT2AMEN1GAACTSKCTSS

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-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed