SCHEMBL7323329

SCHEMBL7323329

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.53
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44

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
SCHEMBL7310436 0.84 BIRC2 (0.61) BIRC2ALDH1A1
SCHEMBL7320279 0.80 BIRC2 (0.76) BIRC2ALDH1A1KMT2A
SCHEMBL7314012 0.80 ALDH1A1 (0.51) MAPK1NPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL7314006 0.80 ALDH1A1 (0.51) MAPK1NPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL7314034 0.80 ALDH1A1 (0.51) MAPK1NPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL7323337 0.79 MAPK1 (0.49) MAPK1NPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL7314023 0.79 MEN1 (0.50) MAPK1NPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL7313729 0.78 BIRC2 (0.62) BIRC2USP2
SCHEMBL7321252 0.78 BIRC2 (0.62) BIRC2USP2
SCHEMBL7320818 0.74 BIRC2 (0.69) BIRC2ALDH1A1

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed