SCHEMBL8670331

SCHEMBL8670331

CC(C)CC(=O)NC(=O)N[C@H](C(=O)Nc1cccnc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.47
RAB9A P51151 4/20 0.47
FFAR2 O15552 1/20 0.46
ADAM17 P78536 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.43
NOTUM Q6P988 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL13647207 0.78 LMNA (0.58) RAB9ASMN1; SMN2NPC1NOTUMKDM4E
SCHEMBL30844256 0.78 LMNA (0.58) RAB9ASMN1; SMN2NPC1NOTUMKDM4E
SCHEMBL7868084 0.75 NAMPT (0.58) RAB9AFFAR2HTTSMN1; SMN2NPC1
SCHEMBL14943436 0.74 RAB9A (0.55) FPR2RAB9AHTTSMN1; SMN2NPC1
SCHEMBL12401164 0.74 RAB9A (0.54) FPR2RAB9AHTTSMN1; SMN2NPC1
SCHEMBL6951443 0.74 ADAM17 (0.61) FPR2ADAM17SMN1; SMN2
SCHEMBL12468403 0.74 RAB9A (0.52) FPR2RAB9AHTTSMN1; SMN2NPC1
SCHEMBL7030404 0.73 SMN1; SMN2 (0.44) FPR2RAB9AFFAR2ADAM17HTT
SCHEMBL7371393 0.73 RAB9A (0.43) FPR2RAB9AFFAR2ADAM17HTT
SCHEMBL7372936 0.72 ADAM17 (0.43) FPR2RAB9AFFAR2ADAM17HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP disclosed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO disclosed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO disclosed