SCHEMBL7990313

SCHEMBL7990313

O=C(O)NC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)CS(=O)(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 18/20 0.52
MMP2 P08253 15/20 0.52
MMP1 P03956 9/20 0.52
MMP14 P50281 5/20 0.42
MMP8 P22894 4/20 0.42
MMP3 P08254 3/20 0.42
MMP13 P45452 3/20 0.41
MMP7 P09237 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7990107 0.83 MMP9 (0.59) MMP9MMP2MMP1MMP14MMP8
SCHEMBL7990309 0.81 MMP2 (0.79) MMP9MMP2MMP1
SCHEMBL7998645 0.80 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8002839 0.74 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP8
SCHEMBL7989893 0.73 MMP2 (0.46) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8002749 0.72 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8000426 0.71 MMP2 (0.44) MMP9MMP2MMP1MMP14MMP3
SCHEMBL7990308 0.71 MMP1 (0.59) MMP9MMP2MMP1MMP14MMP8
SCHEMBL7998783 0.71 MMP9 (0.54) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8005439 0.70 MMP9 (0.50) MMP9MMP2MMP1MMP14

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