SCHEMBL8649902

SCHEMBL8649902

CC(C)(C)[C@H](NC(=O)CCC[CH]c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.50
MMP3 P08254 8/20 0.50
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
HDAC4 P56524 2/20 0.40
MEF2D Q14814 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP13 P45452 1/20 0.37

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
SCHEMBL8652197 0.79 MMP1 (0.49) MMP2MMP3POLBLMNAHDAC4
SCHEMBL8664026 0.73 MMP1 (0.51) MMP2MMP3POLBLMNAKMT2A
SCHEMBL6268879 0.72 MMP2 (0.65) MMP2MMP3
SCHEMBL7026877 0.72 MMP2 (0.49) MMP2MMP3SMN1; SMN2POLBSTAT3
SCHEMBL6808246 0.70 MMP2 (0.61) MMP2MMP3
SCHEMBL6808248 0.70 MMP2 (0.61) MMP2MMP3
SCHEMBL7758509 0.70 MMP2 (0.71) MMP2MMP3
Trifluoroacetic Acid SCHEMBL7762284 0.69 MMP2 (0.60) MMP2MMP3
SCHEMBL30597572 0.68 HDAC8 (0.50) HDAC4
SCHEMBL7403819 0.65 MMP2 (0.50) MMP2MMP3LMNATSHRMAPK1

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 claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed