SCHEMBL7998963

SCHEMBL7998963

O=C(NO)C1(CS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.60
MMP2 P08253 14/20 0.60
MMP9 P14780 9/20 0.60
MMP14 P50281 9/20 0.60
MMP3 P08254 7/20 0.60
MMP8 P22894 7/20 0.60
MMP1 P03956 7/20 0.60
ADAM17 P78536 7/20 0.60
ABCB11 O95342 1/20 0.60
MMP7 P09237 1/20 0.60
MMP10 P09238 1/20 0.60
EPHX2 P34913 1/20 0.42

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
SCHEMBL8000267 0.79 MMP13 (0.75) MMP13MMP2MMP9MMP14MMP3
SCHEMBL7301710 0.77 MMP1 (0.80) MMP13MMP2MMP9MMP14MMP3
SCHEMBL7303000 0.76 MMP1 (0.70) MMP13MMP2MMP9MMP14MMP3
SCHEMBL7308448 0.76 MMP1 (0.81) MMP13MMP2MMP9MMP14MMP3
SCHEMBL7306093 0.76 MMP1 (0.81) MMP13MMP2MMP9MMP14MMP3
Hydrochloric Acid SCHEMBL7349688 0.76 MMP13 (0.77) MMP13MMP2MMP9MMP14MMP3
SCHEMBL7302287 0.75 MMP1 (0.68) MMP13MMP2MMP9MMP14MMP3
Cts-1027 SCHEMBL2381112 0.75 MMP1 (1.00) MMP13MMP2MMP9MMP14MMP3
SCHEMBL3984079 0.75 MMP1 (0.80) MMP13MMP2MMP9MMP14MMP3
SCHEMBL7998959 0.74 ADAMTS4 (0.47) MMP13MMP2MMP9MMP14MMP3

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-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US claimed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed