SCHEMBL7422773

SCHEMBL7422773

COc1ccc(-c2ccc(C(CNC(CC(C)C)C(=O)OC(=O)C(CC(C)C)NCC(C(=O)O)C(=O)Nc3nc(-c4ccccc4)cs3)C(=O)O)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
APP P05067 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 1/20 0.45
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
SCHEMBL7428381 0.78 MEN1 (0.53) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7424422 0.78 MEN1 (0.53) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7419841 0.77 KDM4E (0.44) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL7424619 0.75 MRE11 (0.46) RAB9AMAPTNPC1APPMEN1
SCHEMBL22491245 0.71 MAPT (0.48) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7416089 0.71 ALOX5 (0.44) GAA
SCHEMBL7422761 0.69 RAB9A (0.50) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7420893 0.66 ALDH1A1 (0.41) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7421514 0.66 ALDH1A1 (0.44) RAB9ASMN1; SMN2MAPTNPC1LMNA
SCHEMBL7426239 0.66 MEN1 (0.43) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed