SCHEMBL8317677

SCHEMBL8317677

O=C(c1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cn2)cc1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.55
MMP13 P45452 16/20 0.55
MMP9 P14780 13/20 0.55
MMP3 P08254 9/20 0.55
MMP8 P22894 8/20 0.55
MMP14 P50281 6/20 0.49
MMP10 P09238 4/20 0.49
MMP12 P39900 3/20 0.49
MMP7 P09237 3/20 0.47
MMP1 P03956 3/20 0.47
HPGD P15428 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
SCHEMBL8316532 0.94 MMP2 (0.57) MMP2MMP13MMP9MMP3MMP8
SCHEMBL8314092 0.82 MMP2 (0.63) MMP2MMP13MMP9MMP3MMP8
SCHEMBL8316685 0.79 MMP2 (0.50) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL6205781 0.78 MMP2 (0.49) MMP2MMP13MMP9MMP3MMP8
SCHEMBL8316620 0.77 MMP2 (0.47) MMP2MMP13MMP9MMP3MMP8
SCHEMBL6697955 0.77 MMP13 (0.60) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL6208482 0.76 MMP2 (0.48) MMP2MMP13MMP9MMP3MMP8
SCHEMBL8316186 0.76 MMP13 (0.58) MMP2MMP13MMP9MMP3MMP8
Hydrochloric Acid SCHEMBL6206733 0.76 MMP13 (0.59) MMP2MMP13MMP9MMP3MMP8
SCHEMBL8316565 0.75 MMP8 (0.60) MMP2MMP13MMP9MMP3MMP8

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