SCHEMBL8320969

SCHEMBL8320969

COc1ccc(OC2CCN(c3nc4ccc(S(=O)(=O)C5(C(=O)NO)CCOCC5)cc4s3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.56
MMP2 P08253 15/20 0.56
MMP9 P14780 11/20 0.56
MMP8 P22894 7/20 0.51
MMP3 P08254 5/20 0.51
MMP14 P50281 2/20 0.51
MMP7 P09237 1/20 0.47
MMP10 P09238 1/20 0.47
MMP12 P39900 1/20 0.47
MMP1 P03956 4/20 0.46
MAPT P10636 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL6229769 0.90 MMP9 (0.55) MMP13MMP2MMP9MMP8MMP3
SCHEMBL6206247 0.82 SCN4A (0.43) MMP13MMP2MMP9MMP8MMP3
SCHEMBL6701004 0.80 SCN9A (0.41) MMP13MMP2MMP9MMP8MMP3
SCHEMBL8312493 0.77 MMP13 (0.47) MMP13MMP2MMP9MMP1MAPT
Hydrochloric Acid SCHEMBL6264619 0.77 MMP13 (0.46) MMP13MMP2MMP9MMP1MAPT
SCHEMBL5919537 0.75 MMP13 (0.65) MMP13MMP2MMP9MMP8MMP3
SCHEMBL8334607 0.74 MMP13 (0.67) MMP13MMP2MMP9MMP8MMP3
SCHEMBL8320080 0.74 SCN9A (0.41) MMP13MMP2MMP9MMP8MMP3
SCHEMBL6231405 0.72 MMP13 (0.57) MMP13MMP2MMP9MMP8MMP3
SCHEMBL5919493 0.71 MMP13 (0.80) 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