SCHEMBL7426467

SCHEMBL7426467

CC(C)CC(C(=O)O)N(CCc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.43
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDPK1 O15530 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
NTRK1 P04629 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL7427033 1.00 GRIA2 (0.43) GRIA2CTNNB1TCF7L2MAPTNPC1
SCHEMBL7420625 0.86 ALDH1A1 (0.40) GRIA2NPC1RAB9A
SCHEMBL7425533 0.84 TRPV1 (0.53) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL7421295 0.82 PPARG (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7423528 0.82 LMNA (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7426638 0.81 ALDH1A1 (0.43) MAPTMEN1KMT2AEGFRERBB2
SCHEMBL22654344 0.81 MCHR1 (0.37) MEN1KMT2A
SCHEMBL7429166 0.79 MMP2 (0.39)
SCHEMBL7428493 0.79 L3MBTL1 (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7425601 0.78 MCHR1 (0.50) MEN1KMT2A

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