SCHEMBL7424536

SCHEMBL7424536

CC(C)CC(NCC(C(=O)O)c1cccc(OCc2cc(Cl)cc(Cl)c2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
GRN P28799 2/20 0.41
SORT1 Q99523 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NR4A2 P43354 1/20 0.40
PKM P14618 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CTSK P43235 1/20 0.39
FFAR1 O14842 1/20 0.39
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL7421897 0.93 NR4A2 (0.49) MAPK1NR4A2PKMMAOAMAOB
SCHEMBL7424457 0.92 NR4A2 (0.48) MAPK1GRNSORT1KMT2AMEN1
SCHEMBL7425598 0.89 KMT2A (0.41) KMT2AMEN1CTSKALOX5SMN1; SMN2
SCHEMBL7424624 0.89 GRN (0.44) MAPK1GRNSORT1KMT2AMEN1
SCHEMBL7427134 0.88 MEN1 (0.41) KMT2AMEN1NR4A2MAOAMAOB
SCHEMBL7426645 0.86 GPR132 (0.50) KMT2AMEN1CTSKALOX5SMN1; SMN2
SCHEMBL7424286 0.85 NR4A2 (0.49) KMT2AMEN1NR4A2MAOAMAOB
SCHEMBL7420340 0.84 MAPT (0.44) CTSKMME
SCHEMBL7430645 0.83 GRN (0.44) MAPK1GRNSORT1MMEACE
SCHEMBL7422599 0.82 GRN (0.47) MAPK1GRNSORT1CTSK

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