SCHEMBL7424286

SCHEMBL7424286

CC(C)CC(NCC(C(=O)O)c1cccc(OCc2ccccc2Cl)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LNPEP Q9UIQ6 1/20 0.44
CASR P41180 3/20 0.42
GPR132 Q9UNW8 1/20 0.42
CD274 Q9NZQ7 2/20 0.41
GCK P35557 1/20 0.41
PDCD1 Q15116 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 1/20 0.40
SLC26A4 O43511 1/20 0.40
KMT2A Q03164 1/20 0.40
FABP4 P15090 2/20 0.39
FABP5 Q01469 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL7424536 0.85 MAPK1 (0.42) NR4A2MAOBMAOAMEN1KMT2A
SCHEMBL7424457 0.85 NR4A2 (0.48) NR4A2GPR132MAOBMAOAMEN1
SCHEMBL7421897 0.84 NR4A2 (0.49) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL7420340 0.83 MAPT (0.44) RAB9A
SCHEMBL7425598 0.82 KMT2A (0.41) GPR132MEN1KMT2A
SCHEMBL7428942 0.81 KEAP1 (0.40) NR4A2
SCHEMBL7427134 0.81 MEN1 (0.41) NR4A2MAOBMAOAMEN1KMT2A
SCHEMBL7426645 0.81 GPR132 (0.50) GPR132MEN1KMT2A
SCHEMBL5870205 0.78 NR4A2 (0.51) NR4A2NPC1RAB9ALNPEPGPR132
SCHEMBL5869323 0.78 NR4A2 (0.51) NR4A2NPC1RAB9ALNPEPGPR132

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