SCHEMBL7325802

SCHEMBL7325802

CC#CCOc1ccc(S(=O)(=O)C(O)(C(N)=O)C2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.59
MMP13 P45452 15/20 0.58
MMP1 P03956 10/20 0.58
MMP2 P08253 8/20 0.53
MMP14 P50281 6/20 0.53
MMP9 P14780 5/20 0.53
MMP8 P22894 1/20 0.43

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
SCHEMBL6786688 0.85 ADAM17 (0.62) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6658136 0.82 ADAM17 (0.68) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6786664 0.77 ADAM17 (0.83) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6626726 0.76 ADAM17 (0.84) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL7325091 0.76 ADAM17 (0.61) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6654489 0.74 ADAM17 (1.00) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6508043 0.74 ADAM17 (0.76) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL7365665 0.74 ADAM17 (0.82) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6264635 0.74 ADAM17 (0.82) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL3939658 0.74 ADAM17 (1.00) ADAM17MMP13MMP1MMP9

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 claimed