SCHEMBL7429474

SCHEMBL7429474

CC#CCOc1ccc(S(=O)(=O)N(C)C(C(=O)NO)C(C)(CC(C(=O)N(O)N(C)S(=O)(=O)c2ccc(OCC#CC)cc2)C(C)(C)SCCC)SCc2cccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 19/20 0.70
MMP13 P45452 18/20 0.70
ADAM17 P78536 18/20 0.70
MMP1 P03956 17/20 0.70
MMP2 P08253 4/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 2/20 0.37
MMP7 P09237 1/20 0.36
ADAM10 O14672 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL4027909 0.83 ADAM17 (1.00) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL4033017 0.78 ADAM17 (0.70) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL4030080 0.76 ADAM17 (0.82) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL7431144 0.75 ADAM17 (0.56) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL4024002 0.73 ADAM17 (0.72) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL4029298 0.72 MMP9 (0.74) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL4027905 0.71 ADAM17 (0.81) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL3947121 0.71 ADAM17 (0.66) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL6498318 0.70 ADAM17 (0.67) MMP9MMP13ADAM17MMP1MMP2
SCHEMBL4023883 0.70 ADAM17 (0.69) MMP9MMP13ADAM17MMP1MMP2

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 claimed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed