SCHEMBL7378206

SCHEMBL7378206

CC(C)CC[C@H](O)C(=O)N(O)C(=O)N[C@H](C(=O)Nc1ncc(Br)s1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.43
PSEN1 P49768 10/20 0.39
PSEN2 P49810 10/20 0.39
APH1B Q8WW43 10/20 0.39
NCSTN Q92542 10/20 0.39
APH1A Q96BI3 10/20 0.39
PSENEN Q9NZ42 10/20 0.39
FPR3 P25089 3/20 0.38
FPR2 P25090 3/20 0.38
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7410116 0.82 HSPA5 (0.51) FFAR2MEN1ALDH1A1KMT2A
SCHEMBL7402956 0.81 POLB (0.45) SMN1; SMN2MEN1ALDH1A1TP53MAPT
SCHEMBL7367564 0.80 FFAR2 (0.39) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL7370348 0.77 MMP2 (0.46) FFAR2SMN1; SMN2MAPK1HTT
SCHEMBL7410121 0.77 MMP2 (0.47) SMN1; SMN2TP53MAPTNPSR1
SCHEMBL7373809 0.77 MMP1 (0.56) FFAR2SMN1; SMN2ALDH1A1
SCHEMBL7371393 0.76 RAB9A (0.43) FFAR2FPR2SMN1; SMN2MEN1ALDH1A1
SCHEMBL6435917 0.75 POLB (0.38)
SCHEMBL8777490 0.75 POLB (0.38)
SCHEMBL7513209 0.75 MMP1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP claimed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP claimed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed
US-5919940-A TERT-LEUCINE-THIAZOL-2-YLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-07-06 US disclosed
US-5859253-A L-TERT-LEUCINE-2-PYRIDYLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-12 US disclosed
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP disclosed
US-5747514-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-05 US disclosed
EP-0740652-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019956-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed