SCHEMBL7417334

SCHEMBL7417334

CC#CCOc1ccc(S(=O)(=O)NC(CCCNC(=O)C2CCCCC2)C(=O)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.58
MMP9 P14780 12/20 0.58
MMP1 P03956 10/20 0.58
ADAM10 O14672 5/20 0.58
MMP14 P50281 4/20 0.58
MMP2 P08253 4/20 0.58
BMP1 P13497 2/20 0.57
MMP13 P45452 9/20 0.56
MMP7 P09237 1/20 0.54
MMP8 P22894 1/20 0.54
ADAM8 P78325 2/20 0.51
MMP12 P39900 1/20 0.49

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
SCHEMBL3949598 1.00 ADAM17 (0.58) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL4034354 0.97 ADAM17 (0.57) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL4034349 0.97 ADAM17 (0.57) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3947964 0.86 ADAM17 (0.68) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3940046 0.86 ADAM17 (0.65) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3939526 0.85 ADAM17 (0.67) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3946223 0.84 ADAM17 (0.63) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL6859797 0.83 ADAM17 (0.62) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3945454 0.83 ADAM17 (0.62) ADAM17MMP9MMP1ADAM10MMP14
SCHEMBL3940072 0.83 ADAM17 (0.62) ADAM17MMP9MMP1ADAM10MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO disclosed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed