SCHEMBL7377622

SCHEMBL7377622

CC(C)C[C@@H](C(=O)O)C(CN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP3 P08254 2/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 2/20 0.49
MMP9 P14780 1/20 0.49
ELANE P08246 1/20 0.43
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6943911 1.00 MMP1 (0.49) MMP1MMP2MMP3MMP8MMP13
SCHEMBL5098057 1.00 MMP1 (0.49) MMP1MMP2MMP3MMP8MMP13
SCHEMBL6943915 1.00 MMP1 (0.49) MMP1MMP2MMP3MMP8MMP13
SCHEMBL7372741 0.95 MMP1 (0.49) MMP1MMP2MMP3MMP8MMP13
SCHEMBL7372744 0.95 MMP1 (0.49) MMP1MMP2MMP3MMP8MMP13
Cyclohexylamine SCHEMBL7847558 0.89 MMP1 (0.42) MMP1MMP2MMP3MMP8MMP13
Cyclohexylamine SCHEMBL7847566 0.89 MMP1 (0.42) MMP1MMP2MMP3MMP8MMP13
Cyclohexylamine SCHEMBL27508267 0.89 MMP1 (0.42) MMP1MMP2MMP3MMP8MMP13
SCHEMBL7375195 0.88 MMP1 (0.46) MMP1MMP2MMP3MMP8MMP13
SCHEMBL7375197 0.88 MMP1 (0.46) MMP1MMP2MMP3MMP8MMP13

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-0777646-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2001-09-05 EP disclosed
US-5763621-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-09 US disclosed
WO-1996006074-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-02-29 WO disclosed