SCHEMBL8548294

SCHEMBL8548294

COc1ccc(NC(=O)[C@@H](NC(=O)N(O)C(=O)[C@H](CCC(C)C)CSc2cccs2)C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HTT P42858 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
HSPA5 P11021 1/20 0.35
LMNA P02545 3/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL7368943 0.87 MAPT (0.37) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL7374791 0.83 MMP1 (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1HSPA5
SCHEMBL7364097 0.82 MMP1 (0.51) MMP1MMP2MMP3
SCHEMBL7360514 0.77 MMP1 (0.44) ALDH1A1RAB9ATP53NPC1LMNA
SCHEMBL7358380 0.74 MMP1 (0.39) MMP1MMP2MMP3
SCHEMBL8749681 0.74 MMP1 (0.47) MMP1MMP2MMP3
SCHEMBL7358017 0.73 MMP1 (0.61) MMP1MMP2MMP3
SCHEMBL6417502 0.73 MMP1 (0.50) MMP1MMP2MMP3
SCHEMBL7374561 0.71 MAPT (0.37) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL7370348 0.70 MMP2 (0.46) HTTSMN1; SMN2LMNAMMP1MMP2

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
EP-0740652-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-05-06 EP claimed