SCHEMBL7313621

SCHEMBL7313621

CC#CCOc1ccc(S(=O)(=O)OC(=O)CC2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.56
MMP13 P45452 9/20 0.53
MMP1 P03956 4/20 0.53
MMP2 P08253 4/20 0.49
MMP9 P14780 3/20 0.47
MMP8 P22894 2/20 0.45
MMP14 P50281 2/20 0.44

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
SCHEMBL6660997 0.80 ADAM17 (0.58) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7325352 0.74 ADAM17 (0.79) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6753890 0.73 ADAM17 (0.58) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6654897 0.72 ADAM17 (0.54) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL6506632 0.72 MMP13 (0.80) ADAM17MMP13MMP1MMP9
SCHEMBL3938344 0.72 ADAM17 (1.00) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL3939274 0.69 MMP13 (1.00) ADAM17MMP13MMP1MMP9
SCHEMBL6706144 0.69 ADAM17 (0.54) ADAM17MMP13MMP1MMP9
SCHEMBL7392659 0.69 MMP13 (0.75) ADAM17MMP13MMP1MMP9
SCHEMBL7522928 0.69 ADAM17 (0.50) ADAM17MMP13MMP1MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed