SCHEMBL7376767

SCHEMBL7376767

C=CCCC(CC(C)C)C(=O)N(C(=O)O)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
MMP9 P14780 2/20 0.41
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
ALOX5 P09917 1/20 0.39
MMP7 P09237 2/20 0.39
MMP3 P08254 1/20 0.39
ACE P12821 5/20 0.38
HPGD P15428 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MME P08473 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
SCHEMBL4424459 0.89 MMP2 (0.45) MMP2MMP9MMP7MMP3MMP12
SCHEMBL6803242 0.89 NPSR1 (0.43) MMP2MMP9ANPEPALOX5MMP7
SCHEMBL6798658 0.88 ALOX5 (0.38) MMP2MMP9ANPEPRNPEPDNPEP
SCHEMBL6804726 0.88 HSD17B10 (0.39) MMP2ALOX5MMP7MMP3HPGD
SCHEMBL6801586 0.86 CAPN1 (0.36) MMP2ANPEPALOX5MMP7MMP3
SCHEMBL4428169 0.80 NPSR1 (0.43) MMP2MMP9ANPEPMMP7MMP3
SCHEMBL4431971 0.79 CTSB (0.42) MMP2MMP9MMP7MMP3MMP12
SCHEMBL4421716 0.79 MMP8 (0.42) MMP2MMP9MMP7MMP3MMP12
SCHEMBL4431902 0.79 MMP2 (0.39) MMP2MMP9MMP7MMP3MMP12
SCHEMBL4425332 0.79 MMP2 (0.39) MMP2MMP9MMP7MMP3MMP12

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-1062202-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-12-27 EP disclosed
WO-1999046241-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-16 WO disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed