SCHEMBL7657233

SCHEMBL7657233

CCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)CCCSc4nncn4C)C[C@@H]3C(=O)NOC3CCCCO3)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.39
MMP1 P03956 6/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL7056173 0.93 KMT2A (0.33) MMP13
SCHEMBL7060283 0.93 DRD2 (0.33) MMP13
SCHEMBL7056516 0.93 POLB (0.32) MMP13
SCHEMBL7058728 0.88 MMP13 (0.40) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7667714 0.87 MMP13 (0.40) MMP13MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL7376259 0.87 MMP13 (0.43) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7059651 0.87 MMP13 (0.45) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7058994 0.84 MMP13 (0.48) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7352584 0.81 MMP13 (0.42) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7657258 0.80 F2 (0.32) MMP13MMP1MMP2MMP3MMP7

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-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed