SCHEMBL8385337

SCHEMBL8385337

CC(C)C[C@@H](C(=O)OCc1ccccc1)C(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CTSK P43235 5/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSB P07858 3/20 0.47
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
SLC15A1 P46059 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC25B P30305 1/20 0.43

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
SCHEMBL6625376 0.94 ALDH1A1 (0.49) ALDH1A1CTSKMAPK1L3MBTL1CTSB
SCHEMBL6624016 0.94 ALDH1A1 (0.49) ALDH1A1CTSKMAPK1L3MBTL1CTSB
SCHEMBL6654265 0.89 ALDH1A1 (0.50) ALDH1A1CTSKMAPK1L3MBTL1CTSB
SCHEMBL4634083 0.89 ALDH1A1 (0.50) ALDH1A1CTSKMAPK1L3MBTL1CTSB
SCHEMBL4634087 0.89 ALDH1A1 (0.50) ALDH1A1CTSKMAPK1L3MBTL1CTSB
SCHEMBL6622988 0.89 POLB (0.46) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL7331165 0.89 POLB (0.46) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL5187344 0.86 CTSK (0.47) ALDH1A1CTSKMAPK1L3MBTL1CTSB
SCHEMBL5188450 0.86 CTSK (0.47) ALDH1A1CTSKMAPK1L3MBTL1CTSB
SCHEMBL18732578 0.86 ALDH1A1 (0.53) ALDH1A1CTSKMAPK1L3MBTL1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793641-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-04-21 EP disclosed
US-5866717-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-02-02 US disclosed
EP-0793641-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-09-10 EP disclosed
WO-1996016931-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-06-06 WO disclosed