SCHEMBL7313611

SCHEMBL7313611

CC#CCOc1ccc(S(=O)(=O)N2CCC(OC(C)=O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.65
MMP13 P45452 14/20 0.65
MMP8 P22894 2/20 0.65
MMP2 P08253 1/20 0.65
MMP1 P03956 10/20 0.52
MMP9 P14780 4/20 0.52
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL21067889 0.81 ADAM17 (0.73) ADAM17MMP13MMP8MMP2
SCHEMBL8334567 0.81 ADAM17 (0.77) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8335658 0.80 ADAM17 (0.68) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL12708189 0.79 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8334970 0.79 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8329165 0.79 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL6628715 0.77 ADAM17 (0.62) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL8334839 0.77 ADAM17 (1.00) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL6660993 0.74 ADAM17 (0.49) ADAM17MMP13MMP8MMP2MMP1
SCHEMBL6263837 0.73 ADAM17 (0.64) ADAM17MMP13MMP8MMP2MMP1

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