SCHEMBL7215847

SCHEMBL7215847

O=C(O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.56
MMP9 P14780 6/20 0.56
MMP8 P22894 6/20 0.56
MMP1 P03956 5/20 0.56
MMP3 P08254 5/20 0.56
GRIK1 P39086 1/20 0.46
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.39
MMP13 P45452 1/20 0.38
FOLH1 Q04609 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
SCHEMBL7075141 0.78 MMP2 (0.80) MMP2MMP9MMP8MMP1MMP3
SCHEMBL27517321 0.76 MMP2 (0.81) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7077478 0.75 MMP2 (0.71) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7077872 0.75 RXFP1 (0.52) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7080612 0.74 MMP2 (0.54) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7075406 0.74 MMP2 (0.77) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7078224 0.74 MMP2 (0.77) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7077667 0.73 MMP2 (0.57) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7075239 0.72 MMP2 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7075232 0.72 MMP2 (0.60) MMP2MMP9MMP8MMP1MMP3

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 2 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