SCHEMBL7990004

SCHEMBL7990004

CC(C)C(=O)N1CCC(C(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)C(=O)NO)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
MMP9 P14780 10/20 0.47
MMP2 P08253 7/20 0.47
MMP1 P03956 6/20 0.47
MMP14 P50281 5/20 0.47
MMP8 P22894 3/20 0.47
MMP13 P45452 3/20 0.47
MMP3 P08254 2/20 0.47
MMP7 P09237 1/20 0.44
DPP4 P27487 4/20 0.43
DPP7 Q9UHL4 3/20 0.43
KCNH2 Q12809 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 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
SCHEMBL8000592 0.87 MMP9 (0.52) EPHX2MMP9MMP2MMP1MMP14
SCHEMBL7990003 0.81 MMP9 (0.65) MMP9MMP2MMP1MMP8MMP13
SCHEMBL7999031 0.79 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP8
SCHEMBL7598899 0.79 MMP9 (0.66) MMP9MMP2MMP1MMP14MMP8
SCHEMBL7583731 0.76 MMP9 (0.45) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8003468 0.76 MMP9 (0.57) EPHX2MMP9MMP2MMP1MMP14
SCHEMBL7435170 0.76 MMP9 (0.64) MMP9MMP2MMP1MMP14MMP8
SCHEMBL7598896 0.76 MMP9 (0.64) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8005101 0.75 MMP9 (0.47) MMP9MMP2MMP1MMP14MMP8
SCHEMBL8002269 0.74 MMP2 (0.46) MMP9MMP2MMP1MMP14MMP8

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