SCHEMBL8313462

SCHEMBL8313462

CC(C)CN(C)C(=O)Cc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.47
MMP2 P08253 18/20 0.47
MMP9 P14780 13/20 0.47
MMP8 P22894 12/20 0.47
MMP3 P08254 7/20 0.47
MMP14 P50281 6/20 0.47
MMP7 P09237 4/20 0.47
MMP10 P09238 3/20 0.47
MMP12 P39900 3/20 0.47
MMP1 P03956 6/20 0.46
ADAM17 P78536 1/20 0.46

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
Hydrochloric Acid SCHEMBL6205539 0.99 MMP13 (0.47) MMP13MMP2MMP9MMP8MMP3
SCHEMBL6227284 0.92 PHGDH (0.41) MMP13MMP2MMP9MMP8MMP3
SCHEMBL6206877 0.87 MMP13 (0.37) MMP13MMP2MMP9MMP8MMP3
SCHEMBL8321550 0.84 MMP13 (0.36) MMP13MMP2MMP9MMP8MMP3
SCHEMBL8316605 0.81 MMP13 (0.46) MMP13MMP2MMP9MMP8MMP3
SCHEMBL8314092 0.81 MMP2 (0.63) MMP13MMP2MMP9MMP8MMP3
SCHEMBL6697955 0.79 MMP13 (0.60) MMP13MMP2MMP9MMP8MMP3
Hydrochloric Acid SCHEMBL6206733 0.78 MMP13 (0.59) MMP13MMP2MMP9MMP8MMP3
SCHEMBL8316685 0.77 MMP2 (0.50) MMP13MMP2MMP9MMP8MMP3
Hydrochloric Acid SCHEMBL6205781 0.76 MMP2 (0.49) MMP13MMP2MMP9MMP8MMP3

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
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed