SCHEMBL7323337

SCHEMBL7323337

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALB P02768 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
APAF1 O14727 1/20 0.42
UBE2N P61088 1/20 0.42

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
SCHEMBL7310444 0.84 LTA4H (0.42) ALDH1A1
SCHEMBL7323329 0.79 BIRC2 (0.53) MAPK1NPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7320285 0.79 LTA4H (0.52) TSHRKMT2A
SCHEMBL7321257 0.78 LTA4H (0.43) ALDH1A1MEN1KMT2A
SCHEMBL7313736 0.78 LTA4H (0.43) ALDH1A1MEN1KMT2A
SCHEMBL7319825 0.76 MAPT (0.58) MAPK1SMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL7320822 0.73 LTA4H (0.47) L3MBTL1
SCHEMBL7309902 0.72 LTA4H (0.48) HPGD
SCHEMBL7314012 0.72 ALDH1A1 (0.51) MAPK1NPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL7314034 0.72 ALDH1A1 (0.51) MAPK1NPC1SMN1; SMN2L3MBTL1TSHR

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