SCHEMBL7399736

SCHEMBL7399736

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.59
MMP13 P45452 12/20 0.59
MMP9 P14780 11/20 0.59
MMP1 P03956 10/20 0.59
ADAM10 O14672 1/20 0.53
MMP7 P09237 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53

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
SCHEMBL7395509 0.82 ADAM17 (0.56) ADAM17MMP13MMP9MMP1ADAM10
Hydrochloric Acid SCHEMBL7388495 0.81 ADAM17 (0.59) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3944468 0.78 MMP13 (0.68) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3944236 0.78 MMP13 (0.68) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL7393438 0.77 ADAM17 (0.66) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3948065 0.75 MMP1 (1.00) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3943916 0.74 ADAM17 (1.00) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3948034 0.71 MMP9 (0.77) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL7396529 0.71 ADAM17 (0.50) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL3942029 0.71 MMP9 (0.69) ADAM17MMP13MMP9MMP1ADAM10

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
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