SCHEMBL7217329

SCHEMBL7217329

O=C(c1ccncc1)c1ccc(S(=O)(=O)CC(CCCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.84
MMP9 P14780 6/20 0.84
MMP8 P22894 6/20 0.84
MMP3 P08254 6/20 0.84
MMP1 P03956 5/20 0.84
GRIK1 P39086 1/20 0.44
TBXAS1 P24557 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPY5R Q15761 1/20 0.40
MMP13 P45452 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7074930 0.92 MMP2 (1.00) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7077478 0.91 MMP2 (0.71) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7221722 0.86 MMP2 (0.76) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7221720 0.85 MMP2 (0.61) MMP2MMP9MMP8MMP3MMP1
SCHEMBL27517321 0.84 MMP2 (0.81) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7075141 0.84 MMP2 (0.80) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7075248 0.84 MMP2 (0.76) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7076033 0.83 MMP2 (0.80) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7985039 0.82 MMP1 (0.56) MMP2MMP9MMP8MMP3MMP1
SCHEMBL7078224 0.82 MMP2 (0.77) MMP2MMP9MMP8MMP3MMP1

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
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0968182-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY Darwin Discovery Limited (GB) 2000-01-05 EP disclosed
WO-1998005635-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LIMITED (GB) 1998-02-12 WO disclosed