SCHEMBL8524291

SCHEMBL8524291

O=C(NO)C1CCCCC1S(=O)(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.68
MMP2 P08253 8/20 0.68
RAB9A P51151 1/20 0.57
MMP1 P03956 7/20 0.54
ADAM17 P78536 6/20 0.54
MMP3 P08254 2/20 0.52
MMP13 P45452 4/20 0.51
ADAMTS4 O75173 1/20 0.51
MMP14 P50281 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51

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
SCHEMBL7308416 0.80 MMP9 (0.95) MMP9MMP2MMP1ADAM17MMP3
SCHEMBL7308413 0.80 MMP9 (0.95) MMP9MMP2MMP1ADAM17MMP3
SCHEMBL6336581 0.79 RAB9A (0.84) RAB9AADAM17
SCHEMBL6336577 0.79 RAB9A (0.84) RAB9AADAM17
SCHEMBL6336575 0.79 RAB9A (0.84) RAB9AADAM17
SCHEMBL8483590 0.79 MMP2 (0.55) MMP9MMP2RAB9AMMP1ADAM17
SCHEMBL8524352 0.78 MMP9 (0.72) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7305533 0.77 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP13
SCHEMBL7305528 0.77 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP13
SCHEMBL6335888 0.77 RAB9A (0.80) MMP9MMP2RAB9AADAM17

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-5883131-A Cyclic sulfone derivatives PFIZER INC. (US) 1999-03-16 US disclosed
EP-0818442-A2 Cyclic sulphone derivatives as inhibitors of metalloproteinases and of the production of tumour necrosis factor PFIZER INC. (US) 1998-01-14 EP disclosed