SCHEMBL6976225

SCHEMBL6976225

O=C(NO)OC1(CS(=O)(=O)CCCOc2ccc(-c3ccccc3)cc2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 5/20 0.45
▸ MMP1 P03956 5/20 0.45
▸ MMP9 P14780 3/20 0.45
▸ MMP3 P08254 3/20 0.45
▸ MMP2 P08253 3/20 0.45
▸ MMP8 P22894 3/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ HDAC3 O15379 5/20 0.43
▸ HDAC4 P56524 5/20 0.43
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC7 Q8WUI4 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ HDAC10 Q969S8 5/20 0.43
▸ HDAC11 Q96DB2 5/20 0.43
▸ HDAC8 Q9BY41 5/20 0.43
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC9 Q9UKV0 5/20 0.43
▸ HDAC5 Q9UQL6 5/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6727248 0.84 MMP13 (0.52) MMP13MMP1MMP9MMP3MMP2
SCHEMBL6727259 0.81 MMP1 (0.43) MMP13MMP1MMP9MMP3MMP2
SCHEMBL6730211 0.80 HDAC3 (0.46) MMP13MMP1MMP9MMP3MMP2
SCHEMBL6969747 0.78 MMP13 (0.50) MMP13MMP1MMP9MMP3MMP2
SCHEMBL6976767 0.78 USP2 (0.45) MMP13MMP1MMP9MMP3MMP2
SCHEMBL6976704 0.73 MMP1 (0.40) MMP13MMP1
SCHEMBL6727302 0.71 MMP13 (0.64) MMP13MMP1MMP9MMP3MMP2
SCHEMBL6727303 0.71 MMP13 (0.62) MMP13MMP1MMP9MMP3MMP2
SCHEMBL6977761 0.69 HRH3 (0.39) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL6735054 0.69 MMP13 (0.52) MMP13MMP1MMP9MMP3MMP2

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
EP-1053233-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-08-20 — — EP claimed
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